input word = C00057054

Metabolite InformationStructural formula
Name Peltatol C
Formula C42H58O4
Mw 626.43351034
CAS RN 140872-96-4
C_ID C00057054
InChIKey IIXXCYMHCAOUOF-NXQGAYFCSA-N
InChICode InChI=1S/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-38(36(43)27-34)46-39-29-35(28-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21+,33-22+
SMILES OC1=CC(C(CC/C=C(C)/CC/C=C(C)/C)(C)C=C)=CC(OC2=C(O)C=C(C(C=C)(C)CC/C=C(C)/CC/C=C(C)/C)C=C2)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pothomorphe peltata Ref.
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