input word = C00020785

Metabolite InformationStructural formula
Name [3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Formula C15H18O3
Mw 246.12559444
CAS RN 126705-54-2
C_ID C00020785 ,
InChIKey ZVLOTIBMQHGIML-XLTINMRWNA-N
InChICode InChI=1S/C15H18O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h6-7,10-13,17H,1-2,4-5H2,3H3/t10-,11+,12+,13+,15-/m1/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)C(=C)C(=O)O3)[C@@](C=C2)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePeyrousea umbellata Ref.
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