KEGG   COMPOUND: C09330Help
Entry
C09330                      Compound                               

Name
Alangiside
Formula
C25H31NO10
Exact mass
505.1948
Mol weight
505.5143
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09330  Alangiside
BRITE hierarchy
Other DBs
CAS: 
34482-51-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        36
            1   C1y C    25.9007  -16.7351
            2   C8y C    24.6810  -16.0408
            3   N1y N    27.1147  -16.0524
            4   C1x C    25.8833  -18.1358
            5   C8y C    24.6869  -14.6401
            6   C8x C    23.4789  -16.7411
            7   C5x C    28.3111  -16.7585
            8   C1x C    27.1205  -14.6518
            9   C1y C    27.0971  -18.8420
            10  C1x C    25.9067  -13.9398
            11  C8x C    23.4789  -13.9340
            12  C8y C    22.2592  -16.0408
            13  C2y C    28.2994  -18.1591
            14  O5x O    29.5191  -16.0465
            15  C1y C    27.0797  -20.2368
            16  C8y C    22.2592  -14.6401
            17  O1a O    21.0454  -16.7411
            18  C2x C    29.5015  -18.8652
            19  C1y C    28.2701  -20.9371
            20  C2b C    25.8542  -20.9195
            21  O2a O    21.0454  -13.9340
            22  O2x O    29.4841  -20.2601
            23  O2a O    28.2584  -22.3377
            24  C2a C    25.8483  -22.3260
            25  C1a C    19.8314  -14.6342
            26  C1y C    29.4724  -23.0438
            27  O2x O    29.4724  -24.4444
            28  C1y C    30.6862  -22.3435
            29  C1y C    30.6862  -25.1448
            30  C1y C    31.9002  -23.0497
            31  O1a O    30.6805  -20.9371
            32  C1y C    31.9002  -24.4504
            33  C1b C    30.6688  -26.5395
            34  O1a O    33.1140  -22.3318
            35  O1a O    33.1023  -25.1448
            36  O1a O    31.8826  -27.2457
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 2
            14    9  15 1
            15   11  16 2
            16   12  17 1
            17   13  18 2
            18   15  19 1
            19   15  20 1 #Down
            20   16  21 1
            21   18  22 1
            22   19  23 1 #Up
            23   20  24 2
            24   21  25 1
            25   26  23 1 #Up
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 1 #Down
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1
            36    8  10 1
            37    9  13 1
            38   12  16 1
            39   19  22 1
            40   30  32 1

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