PCIDB

KNApSAcK Metabolite C00035388

Metabolite

KNApSAcK Entry

id C00035388
Name Rugosin F
CAS RN 84744-52-5
Standard InChI InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)129-67-65-39(14-122-74(115)19-7-32(89)50(98)57(105)41(19)42-20(76(117)127-65)8-33(90)51(99)58(42)106)126-82(69(67)131-72(113)17-3-28(85)48(96)29(86)4-17)134-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-21(9-34(91)54(102)61(45)109)77(118)128-66-40(15-123-75(24)116)125-81(133-73(114)18-5-30(87)49(97)31(88)6-18)70-68(66)130-78(119)22-10-35(92)52(100)59(107)43(22)44-23(79(120)132-70)11-36(93)53(101)60(44)108/h1-13,39-40,65-70,81-111H,14-15H2
Standard InChI (Main Layer) InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)129-67-65-39(14-122-74(115)19-7-32(89)50(98)57(105)41(19)42-20(76(117)127-65)8-33(90)51(99)58(42)106)126-82(69(67)131-72(113)17-3-28(85)48(96)29(86)4-17)134-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-21(9-34(91)54(102)61(45)109)77(118)128-66-40(15-123-75(24)116)125-81(133-73(114)18-5-30(87)49(97)31(88)6-18)70-68(66)130-78(119)22-10-35(92)52(100)59(107)43(22)44-23(79(120)132-70)11-36(93)53(101)60(44)108/h1-13,39-40,65-70,81-111H,14-15H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 126

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rosa rugosa 74645 Rosaceae rosids Viridiplantae