input word = C00019061

Metabolite InformationStructural formula
Name Indicanin D
5,7-Dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-4'-(1-(hydroxymethyl)pentacosyloxy)-6-prenylisoflavone
Indicanine D
Formula C51H78O7
Mw 802.57475484
CAS RN 402939-12-2
C_ID C00019061 ,
InChIKey KXBPSKSPRYVSAE-UHFFFAOYNA-N
InChICode InChI=1S/C51H78O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-42(36-52)58-41-32-30-40(31-33-41)45-37-57-51-44(35-46(53)39(4)5)48(54)43(34-29-38(2)3)49(55)47(51)50(45)56/h29-33,37,42,46,52-55H,4,6-28,34-36H2,1-3,5H3/t42-,46-/m0/s1
SMILES c1(c(c(c2c(c1O)c(=O)c(co2)c1ccc(cc1)O[C@H](CO)CCCCCCCCCCCCCCCCCCCCCCCC)C[C@@H](C(=C)C)O)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeErythrina indica Ref.
PlantaeFabaceaeErythrina variegata Ref.
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