input word = C00059980

Metabolite InformationStructural formula
Name [3aS-[3aR*,4S*(Z),6S*,7R*,11aS*]]-2-Butenoic acid, dodecahydro-6-hydroxy-10-(hydroxymethyl)-7-methoxy-6-methyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester
Formula C20H28O8
Mw 396.17841787
CAS RN 145772-58-3
C_ID C00059980
InChIKey ICEIMYCUUFOXNU-ZAAAHQNESA-N
InChICode InChI=1S/C20H28O8/c1-5-6-17(23)27-15-9-20(3,25)16(26-4)8-13(22)12(10-21)7-14-18(15)11(2)19(24)28-14/h5-6,12,14-16,18,21,25H,2,7-10H2,1,3-4H3/b6-5-/t12?,14-,15-,16+,18+,20-/m1/s1
SMILES C=C1C(=O)OC2CC(CO)C(=O)CC(OC)C(C)(O)CC(OC(=O)C=CC)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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