input word = C00012872

Metabolite InformationStructural formula
Name Pulchellin B
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-7-(Acetyloxy)decahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 6754-36-5
C_ID C00012872 ,
InChIKey IXXKNMRCXZPDPV-PFTXDLDINA-N
InChICode InChI=1S/C17H22O5/c1-8-11-5-12-9(2)15(19)14(21-10(3)18)7-17(12,4)6-13(11)22-16(8)20/h11-15,19H,1-2,5-7H2,3-4H3/t11-,12+,13-,14-,15-,17-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](OC(C)=O)[C@H](O)C(=C)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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