input word = C00042404

Metabolite InformationStructural formula
Name Coetsanoic acid
Formula C20H30O6
Mw 366.20423869
CAS RN 219604-41-8
C_ID C00042404 ,
InChIKey LSIQUMAAMOBJLY-BBEDISEBNA-N
InChICode InChI=1S/C20H30O6/c1-9-14-10(21)7-12-18(2)5-4-6-19(3,17(25)26)11(18)8-13(22)20(12,15(9)23)16(14)24/h9-14,16,21-22,24H,4-8H2,1-3H3,(H,25,26)/t9-,10+,11+,12+,13-,14+,16-,18-,19+,20+/m1/s1
SMILES [C@@H]1([C@@]23[C@@H](C[C@@H]([C@@H]1[C@H](C3=O)C)O)[C@]1([C@H](C[C@H]2O)[C@@](CCC1)(C)C(=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon albopilosus Ref.
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OrganismIsodon albopilosus
ReferenceHuang,J.Nat.Prod.,68,(2005),1758