input word = C00059962

Metabolite InformationStructural formula
Name (4aS-trans)-3,4,4a,9,10,10a-Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2-phenanthrenecarboxylic acid
Formula C20H26O3
Mw 314.1881947
CAS RN 144842-18-2
C_ID C00059962
InChIKey BYADCGKNIQXKLP-JXFKEZNVSA-N
InChICode InChI=1S/C20H26O3/c1-12-15(18(21)22)9-10-20(4)16(12)7-5-13-11-14(19(2,3)23)6-8-17(13)20/h6,8,11,16,23H,5,7,9-10H2,1-4H3,(H,21,22)/t16-,20-/m0/s1
SMILES CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)(C)O)cc3CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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