PCIDB

KNApSAcK Metabolite C00035793

Metabolite

KNApSAcK Entry

id C00035793
Name 3-O-Acetyl-2alpha-hydroxyamphoricarpolide
CAS RN 824951-07-7
Standard InChI InChI=1S/C74H112O34/c1-30-45(82)49(86)53(90)63(98-30)106-59-38(27-77)101-62(56(93)52(59)89)97-29-39-47(84)51(88)55(92)65(102-39)108-68(95)74-22-21-69(2,3)23-34(74)33-14-15-41-71(6)19-18-43(70(4,5)40(71)17-20-72(41,7)73(33,8)24-42(74)80)103-67-61(107-64-54(91)50(87)46(83)36(25-75)99-64)58(35(79)28-96-67)105-66-57(94)60(48(85)37(26-76)100-66)104-44(81)16-11-31-9-12-32(78)13-10-31/h9-14,16,30,34-43,45-67,75-80,82-94H,15,17-29H2,1-8H3/b16-11-/t30-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43-,45-,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57+,58-,59+,60-,61+,62+,63-,64-,65-,66-,67-,71-,72+,73+,74+/m0/s1
Standard InChI (Main Layer) InChI=1S/C74H112O34/c1-30-45(82)49(86)53(90)63(98-30)106-59-38(27-77)101-62(56(93)52(59)89)97-29-39-47(84)51(88)55(92)65(102-39)108-68(95)74-22-21-69(2,3)23-34(74)33-14-15-41-71(6)19-18-43(70(4,5)40(71)17-20-72(41,7)73(33,8)24-42(74)80)103-67-61(107-64-54(91)50(87)46(83)36(25-75)99-64)58(35(79)28-96-67)105-66-57(94)60(48(85)37(26-76)100-66)104-44(81)16-11-31-9-12-32(78)13-10-31/h9-14,16,30,34-43,45-67,75-80,82-94H,15,17-29H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Amphoricarpos neumayeri 313508 Asteraceae asterids Viridiplantae