PCIDB

KNApSAcK Metabolite C00002925

Metabolite

KNApSAcK Entry

id C00002925
Name Gemin A
CAS RN 82220-61-9
Standard InChI InChI=1S/C82H56O52/c83-27-1-16(2-28(84)48(27)96)71(112)129-67-65-39(14-122-74(115)20-8-32(88)51(99)57(105)41(20)19-7-25(79(120)128-65)47(95)62(110)46(19)94)125-81(69(67)131-72(113)17-3-29(85)49(97)30(86)4-17)133-73(114)18-5-31(87)50(98)38(6-18)124-64-26(13-37(93)56(104)63(64)111)80(121)134-82-70-68(130-77(118)23-11-35(91)54(102)60(108)44(23)45-24(78(119)132-70)12-36(92)55(103)61(45)109)66-40(126-82)15-123-75(116)21-9-33(89)52(100)58(106)42(21)43-22(76(117)127-66)10-34(90)53(101)59(43)107/h1-13,39-40,65-70,81-111H,14-15H2/t39?,40?,65-,66-,67?,68+,69-,70?,81-,82+/m1/s1
Standard InChI (Main Layer) InChI=1S/C82H56O52/c83-27-1-16(2-28(84)48(27)96)71(112)129-67-65-39(14-122-74(115)20-8-32(88)51(99)57(105)41(20)19-7-25(79(120)128-65)47(95)62(110)46(19)94)125-81(69(67)131-72(113)17-3-29(85)49(97)30(86)4-17)133-73(114)18-5-31(87)50(98)38(6-18)124-64-26(13-37(93)56(104)63(64)111)80(121)134-82-70-68(130-77(118)23-11-35(91)54(102)60(108)44(23)45-24(78(119)132-70)12-36(92)55(103)61(45)109)66-40(126-82)15-123-75(116)21-9-33(89)52(100)58(106)42(21)43-22(76(117)127-66)10-34(90)53(101)59(43)107/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 C10229

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
Geum japonicum 321607 Rosaceae rosids Viridiplantae