input word = C00020856

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5alpha,6alpha,6aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-5,6,9-trihydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
Formula C15H20O5
Mw 280.13107375
CAS RN 128366-57-4
C_ID C00020856 ,
InChIKey MQHMGQBWPKUXKH-PMWAPDPZNA-N
InChICode InChI=1S/C15H20O5/c1-7-8-6-10(16)15(3,19)9-4-5-14(2,18)11(9)12(8)20-13(7)17/h4-5,8-12,16,18-19H,1,6H2,2-3H3/t8-,9-,10+,11-,12-,14-,15-/m0/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@@H](C[C@H]([C@]1(O)C)O)C(=C)C(=O)O3)[C@@](C=C2)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAjania achilleoides Ref.
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OrganismAjania achilleoides
ReferenceZdero,Phytochem.,29,(1990),1585