KEGG   COMPOUND: C20894Help
Entry
C20894                      Compound                               

Name
beta-Citraurin;
3-Hydroxy-beta-apo-8'-carotenal;
3beta-Hydroxy-8'-apo-beta-carotenal
Formula
C30H40O2
Exact mass
432.3028
Mol weight
432.6374
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 650-69-1
PubChem: 254741357
KCF data Show

ATOM        32
            1   C4a C    27.7475  -15.8102
            2   C2c C    26.5306  -16.5081
            3   C2b C    25.3218  -15.8018
            4   C1a C    26.5219  -17.9123
            5   C2b C    24.0962  -16.4995
            6   C2b C    22.8878  -15.8018
            7   C2c C    21.6708  -16.4912
            8   C2b C    20.4620  -15.7931
            9   C1a C    21.7321  -17.8953
            10  C2b C    19.2450  -16.4825
            11  C2b C    18.0365  -15.7846
            12  C2b C    16.8278  -16.4825
            13  C2c C    15.6194  -15.7931
            14  C2b C    14.4024  -16.4912
            15  C1a C    15.6108  -14.3890
            16  C2b C    13.1937  -15.8018
            17  C2b C    11.9854  -16.4995
            18  C2c C    10.7766  -15.8018
            19  C2b C     9.5680  -16.5081
            20  C1a C    10.7680  -14.3974
            21  C2b C     8.3596  -15.8102
            22  C2y C     7.1509  -16.5081
            23  C1z C     5.9339  -15.8102
            24  C2y C     7.1509  -17.9210
            25  C1x C     4.7168  -16.5165
            26  C1x C     5.9339  -18.6273
            27  C1a C     8.3596  -18.6189
            28  C1y C     4.7168  -17.9210
            29  O1a O     3.4913  -18.6189
            30  C1a C     6.9220  -14.8221
            31  C1a C     5.0807  -14.7011
            32  O4a O    28.9413  -16.5044
BOND        32
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     3   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     7   9 1
            9     8  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   13  15 1
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   18  20 1
            20   19  21 2
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   24  27 1
            27   25  28 1
            28   28  29 1 #Up
            29   26  28 1
            30   23  30 1
            31   23  31 1
            32    1  32 2

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