input word = C00061078

Metabolite InformationStructural formula
Name (3S,4aR,6aR,7R,10aS,10bR)-3-Ethenyldodecahydro-3,7,10a-trimethyl-1H-naphtho[2,1-b]pyran-7-carboxylic acid
Formula C19H30O3
Mw 306.21949482
CAS RN 251318-17-9
C_ID C00061078
InChIKey NRBFZHKWPWGDAN-BTAUFWJCSA-N
InChICode InChI=1S/C19H30O3/c1-5-17(2)12-9-13-14(22-17)7-8-15-18(13,3)10-6-11-19(15,4)16(20)21/h5,13-15H,1,6-12H2,2-4H3,(H,20,21)/t13-,14+,15+,17+,18+,19+/m0/s1
SMILES C=CC1(C)CCC2C(CCC3C(C)(C(=O)O)CCCC23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
Referencehttps://doi.org/10.1021/np9902183