PCIDB

KNApSAcK Metabolite C00009338

Metabolite

KNApSAcK Entry

id C00009338
Name Guajavin B
CAS RN 145826-23-9
Standard InChI InChI=1S/C56H38O32/c57-14-7-21-10(3-20(63)48(84-21)9-1-15(58)35(65)16(59)2-9)34(64)26(14)31-30-33-29(44(74)47(77)45(30)75)28-32-27(42(72)46(76)43(28)73)25-13(6-19(62)38(68)41(25)71)53(79)85-22-8-83-52(78)11-4-17(60)36(66)39(69)23(11)24-12(5-18(61)37(67)40(24)70)54(80)86-49(22)51(88-56(32)82)50(31)87-55(33)81/h1-2,4-7,20,22,31,48-51,57-77H,3,8H2/t20-,22+,31-,48+,49+,50-,51-/m0/s1
Standard InChI (Main Layer) InChI=1S/C56H38O32/c57-14-7-21-10(3-20(63)48(84-21)9-1-15(58)35(65)16(59)2-9)34(64)26(14)31-30-33-29(44(74)47(77)45(30)75)28-32-27(42(72)46(76)43(28)73)25-13(6-19(62)38(68)41(25)71)53(79)85-22-8-83-52(78)11-4-17(60)36(66)39(69)23(11)24-12(5-18(61)37(67)40(24)70)54(80)86-49(22)51(88-56(32)82)50(31)87-55(33)81/h1-2,4-7,20,22,31,48-51,57-77H,3,8H2

Cluster

Phytochemical cluster
KCF-S cluster No. 142

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL507287

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Myrtaceae 1
Fagaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Psidium guajava 120290 Myrtaceae rosids Viridiplantae
Quercus petraea 38865 Fagaceae rosids Viridiplantae