PCIDB

KNApSAcK Metabolite C00013282

Metabolite

KNApSAcK Entry

id C00013282
Name Pavetannin B 5 / [6S-[6alpha,10alpha,11beta,12beta(2S*,3S*),14alpha,15S*]]-6,10-bis(3,4-Dihydroxyphenyl)-12-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-11,12-dihydro-6,14-methano-10H,14H-[1]benzopyrano[7,6-d][1,3]benzodioxocin-1,3,11,13,15-pentol
CAS RN 139975-03-4
Standard InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-30-35(39(36)57)37(40(58)42(60-30)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-29(56)41(61-43(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2
Standard InChI (Main Layer) InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-30-35(39(36)57)37(40(58)42(60-30)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-29(56)41(61-43(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pavetta owariensis 58461 Rubiaceae asterids Viridiplantae