input word = C00060614

Metabolite InformationStructural formula
Name Regeol A
Formula C28H40O4
Mw 440.29265977
CAS RN 194025-76-8
C_ID C00060614
InChIKey FKARAOWYAAUAFW-MGRBCSRPSA-N
InChICode InChI=1S/C28H40O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h14-15,20-21,24,29,31-32H,7-13H2,1-6H3/t15-,20+,21-,24-,25+,26-,27-,28+/m1/s1
SMILES Cc1c(O)c(O)cc2c1CCC1C2(C)CCC2(C)C3CC(C)C(=O)C(O)C3(C)CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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