input word = C00053940

Metabolite InformationStructural formula
Name 19(10->9)-Abeo-3,4-secotirucalla-4,24-dien-3-ol
Formula C30H52O
Mw 428.40181628
CAS RN 178330-51-3
C_ID C00053940
InChIKey PDGUDHUKTNJAMM-CZJMLBNZSA-N
InChICode InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1
SMILES CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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