input word = C00057053

Metabolite InformationStructural formula
Name Peltatol B
Formula C42H58O4
Mw 626.43351034
CAS RN 140872-95-3
C_ID C00057053
InChIKey SRYUFQNDYPIUQF-NXQGAYFCSA-N
InChICode InChI=1S/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-36(43)38(28-34)46-39-29-35(27-37(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 C=CC(CC/C=C(CC/C=C(C)C)C)(C1=CC(OC2=CC(C(C=C)(CC/C=C(CC/C=C(C)C)C)C)=CC(O)=C2O)=C(O)C=C1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pothomorphe peltata Ref.
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