Metabolite

KNApSAcK Entry

id C00014809
Name Preternatin A3
CAS RN 215378-82-8
Standard InChI InChI=1S/C63H72O36/c64-18-35-43(72)48(77)53(82)59(95-35)89-27-7-1-23(2-8-27)5-11-40(69)87-21-38-46(75)51(80)56(85)61(98-38)92-32-13-25(58-34(17-29-30(68)15-26(67)16-31(29)91-58)94-63-55(84)50(79)45(74)37(20-66)97-63)14-33(42(32)71)93-62-57(86)52(81)47(76)39(99-62)22-88-41(70)12-6-24-3-9-28(10-4-24)90-60-54(83)49(78)44(73)36(19-65)96-60/h1-17,35-39,43-57,59-66,72-86H,18-22H2,(H2-,67,68,71)/p+1/b11-5+,12-6+/t35?,36?,37?,38?,39?,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53?,54?,55?,56?,57?,59-,60-,61-,62-,63-/m1/s1
Standard InChI (Main Layer) InChI=1S/C63H72O36/c64-18-35-43(72)48(77)53(82)59(95-35)89-27-7-1-23(2-8-27)5-11-40(69)87-21-38-46(75)51(80)56(85)61(98-38)92-32-13-25(58-34(17-29-30(68)15-26(67)16-31(29)91-58)94-63-55(84)50(79)45(74)37(20-66)97-63)14-33(42(32)71)93-62-57(86)52(81)47(76)39(99-62)22-88-41(70)12-6-24-3-9-28(10-4-24)90-60-54(83)49(78)44(73)36(19-65)96-60/h1-17,35-39,43-57,59-66,72-86H,18-22H2,(H2-,67,68,71)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 839

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
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Clitoria ternatea 43366 Fabaceae rosids Viridiplantae