input word = C00009798

Metabolite InformationStructural formula
Name 4-O-T-Cadinylangolensin
Formula C31H40O4
Mw 476.29265977
CAS RN 75872-84-3
C_ID C00009798 ,
InChIKey RVLYYCCWEKBFCF-FFEGSAPNNA-N
InChICode InChI=1S/C31H40O4/c1-19(2)25-15-16-31(5,28-14-7-20(3)17-27(25)28)35-24-12-13-26(29(32)18-24)30(33)21(4)22-8-10-23(34-6)11-9-22/h8-13,17-19,21,25,27-28,32H,7,14-16H2,1-6H3/t21-,25+,27-,28-,31+/m1/s1
SMILES c1(cc(c(cc1)C(=O)[C@@H](c1ccc(cc1)OC)C)O)O[C@]1(CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterocarpus angolensis Ref.
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