input word = C00044650

Metabolite InformationStructural formula
Name Cordianol B
(+)-Cordianol B
Formula C30H48O5
Mw 488.35017464
CAS RN 263723-41-7
C_ID C00044650 ,
InChIKey YVVPJOHKSHNHKP-ZGUGDSDCNA-N
InChICode InChI=1S/C30H48O5/c1-17(2)24(33)21(31)14-18(3)19-8-10-27(6)20(19)15-22(32)25-28(27,7)11-9-23-26(4,5)30(34)13-12-29(23,25)16-35-30/h14,19-25,31-34H,1,8-13,15-16H2,2-7H3/b18-14+/t19-,20-,21+,22-,23+,24+,25+,27-,28-,29-,30+/m1/s1
SMILES C=C(C)C(O)[C@@H](O)/C=C(C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia multispicata Ref.
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OrganismCordia multispicata
ReferenceKuroyanagi,J.Nat.Prod.,66,(2003),1307