input word = C00012231

Metabolite InformationStructural formula
Name (9Z,12Z)-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12-Octadecadienoic acid
Formula C38H56O8
Mw 640.39751876
CAS RN 72023-23-5
C_ID C00012231 ,
InChIKey YNJVOZLZBOSBDI-WESAUJBTNA-N
InChICode InChI=1S/C38H56O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33(41)45-35-31(27-40)23-21-22-30(26-39)25-32-34(29(4)38(43)44-32)36(35)46-37(42)28(3)6-2/h10-11,13-14,23,25,27-28,32,34-36,39H,4-9,12,15-22,24,26H2,1-3H3/b11-10+,14-13-,30-25-,31-23+/t28-,32+,34-,35+,36+/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(/CC/C=C(/[C@@H]([C@H]2OC(=O)[C@H](C)CC)OC(=O)CCCCCCC/C=C\C/C=C/CCCCC)\C=O)\CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
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