input word = C00031791

Metabolite InformationStructural formula
Name Formosadimer B
(+)-Formosadimer B
Formula C46H68O4
Mw 684.51176066
CAS RN 875767-72-9
C_ID C00031791 ,
InChIKey IVENDBLQCBPCGR-SEUBTCFFNA-N
InChICode InChI=1S/C46H68O4/c1-12-13-22-48-23-24-49-40-34-26-32(29(2)3)37(47)27-36(34)46(11)21-15-19-44(8,9)42(46)41(40)50-38-28-35-31(25-33(38)30(4)5)16-17-39-43(6,7)18-14-20-45(35,39)10/h16-17,25-30,39-42,47H,12-15,18-24H2,1-11H3/t39-,40-,41-,42-,45+,46+/m0/s1
SMILES c12c([C@@H]([C@@H]([C@@H]3[C@@]1(CCCC3(C)C)C)Oc1cc3c(cc1C(C)C)C=C[C@@H]1[C@@]3(CCCC1(C)C)C)OCCOCCCC)cc(c(c2)O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeCalocedrus macrolepis var.formosana Ref.
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OrganismCalocedrus macrolepis var.formosana
ReferenceHsien,Chem.Pharm.Bull.,53,(2005),1463