input word = C00063527

Metabolite InformationStructural formula
Name [3S-[3alpha,4abeta,4balpha,7aalpha,10aS*,11beta(Z),12abeta]]-2-Methyl-2-butenoic acid, 3-(3-furanyl)dodecahydro-4a-methyl-1,5,8-trioxo-1H,10H-furo[3',4':4a,5]naphtho[2,1-c]pyran-11-yl ester
Formula C25H28O
Mw 344.21401552
CAS RN 96888-53-8
C_ID C00063527
InChIKey QTGZMIUGSAUUPP-LDCLLVAHSA-N
InChICode InChI=1S/C25H28O8/c1-4-13(2)21(27)33-19-9-16-23(29)32-18(14-7-8-30-11-14)10-24(16,3)20-17(26)6-5-15-22(28)31-12-25(15,19)20/h4,7-8,11,15-16,18-20H,5-6,9-10,12H2,1-3H3/b13-4-/t15-,16+,18-,19-,20+,24-,25+/m0/s1
SMILES CC=C(C)C(=O)OC1CC2C(=O)OC(c3ccoc3)CC2(C)C2C(=O)CCC3C(=O)OCC132
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAster alpinus Ref.
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