input word = C00057052

Metabolite InformationStructural formula
Name Peltatol A
Formula C42H58O4
Mw 626.43351034
CAS RN 140872-94-2
C_ID C00057052
InChIKey FBBLBOYXADGJGC-RWRHWQIFSA-N
InChICode InChI=1S/C42H58O4/c1-11-41(9,23-15-21-31(7)19-13-17-29(3)4)33-25-35(39(45)37(43)27-33)36-26-34(28-38(44)40(36)46)42(10,12-2)24-16-22-32(8)20-14-18-30(5)6/h11-12,17-18,21-22,25-28,43-46H,1-2,13-16,19-20,23-24H2,3-10H3/b31-21+,32-22+
SMILES C=CC(C)(CC/C=C(C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc(C(C)(C=C)CC/C=C(C)CCC=C(C)C)cc(O)c2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pothomorphe peltata Ref.
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