input word = C00020974

Metabolite InformationStructural formula
Name Decathieleanolide
Formula C30H34O6
Mw 490.23553882
CAS RN 86630-18-4
C_ID C00020974 ,
InChIKey HUVHNXQZPKWJNF-BLFLDIMVNA-N
InChICode InChI=1S/C30H34O6/c1-13-6-21-18(15(3)26(33)35-21)8-20-17(13)10-24(31)30(20)12-28(5)23-9-19-16(4)27(34)36-22(19)7-14(2)29(23,30)11-25(28)32/h10,13-14,18-23H,3-4,6-9,11-12H2,1-2,5H3/t13-,14-,18+,19+,20+,21-,22-,23-,28-,29+,30+/m0/s1
SMILES C=C1C(=O)O[C@H]2C[C@H](C)C3=CC(=O)C4(C[C@]5(C)C(=O)C[C@@]46[C@H]5C[C@@H]4C(=C)C(=O)O[C@H]4C[C@@H]6C)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDecachaeta thieleana Ref.
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OrganismDecachaeta thieleana
ReferenceGastro,Justus Liebigs Ann. Chem.,(1983),974