input word = C00012229

Metabolite InformationStructural formula
Name 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 hexadecanoic acid
Formula C36H56O8
Mw 616.39751876
CAS RN 72023-21-3
C_ID C00012229 ,
InChIKey CRPWEBPOIQAQIA-KFYXNAFXNA-N
InChICode InChI=1S/C36H56O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-31(39)43-33-29(25-38)21-19-20-28(24-37)23-30-32(27(4)36(41)42-30)34(33)44-35(40)26(3)6-2/h21,23,25-26,30,32-34,37H,4-20,22,24H2,1-3H3/b28-23-,29-21+/t26-,30+,32+,33+,34-/m0/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)CCCCCCCCCCCCCCC)\C=O)\CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
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