input word = C00040906

Metabolite InformationStructural formula
Name Calcicolin B
(-)-Calcicolin B
Formula C24H32O8
Mw 448.209718
CAS RN 220997-67-1
C_ID C00040906 ,
InChIKey VPHPJXZKYUHFDK-WXWZWTOJNA-N
InChICode InChI=1S/C24H32O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-19,21,27-28H,1,7-9H2,2-6H3/t13-,14+,15+,16+,18+,19-,21+,23+,24+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]1(C)[C@H](C(=O)[C@@H]3OC(C)=O)C(C)(C)[C@@H](O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
PlantaeLabiataeIsodon calcicola Ref.
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OrganismIsodon adenantha
ReferenceJiang,J.Nat.Prod.,65,(2002),1111