input word = C00013019

Metabolite InformationStructural formula
Name Grangolide
[3R-(3alpha,3abeta,5aalpha,8beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,8-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Formula C15H22O4
Mw 266.15180919
CAS RN 120396-56-7
C_ID C00013019 ,
InChIKey NVXJDQXVTHYURW-FBZHVJPSNA-N
InChICode InChI=1S/C15H22O4/c1-8-10(16)4-5-14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h9-10,12,16,18H,4-7H2,1-3H3/t9-,10+,12-,14+,15+/m0/s1
SMILES C1[C@]2(C(=C([C@@H](C1)O)C)[C@H]1[C@@](CC2)([C@H](C(=O)O1)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrangea maderaspatana Ref.
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OrganismGrangea maderaspatana
ReferenceRuangrungsi,J.Nat.Prod.,52,(1989),130