input word = C00050524

Metabolite InformationStructural formula
Name 6beta-Cinnamoyl-7beta-hydroxyvouacapen-5alpha-ol
Formula C29H36O5
Mw 464.25627426
CAS RN 101416-38-0
C_ID C00050524
InChIKey IGNZARMTFKDIDD-PSGKSZDDSA-N
InChICode InChI=1S/C29H36O5/c1-18-20-13-16-33-22(20)17-21-24(18)25(31)26(29(32)27(2,3)14-8-15-28(21,29)4)34-23(30)12-11-19-9-6-5-7-10-19/h5-7,9-13,16,18,21,24-26,31-32H,8,14-15,17H2,1-4H3/b12-11+/t18-,21-,24-,25+,26+,28+,29+/m0/s1
SMILES C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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