input word = C00022120

Metabolite InformationStructural formula
Name 4-(Acetyloxy)-2-[3,6-bis(acetyloxy)-4-[(acetyloxy)methylene]-5-hexenylidene]-6,10-dimethyl-5,9-undecadienal
Formula C28H38O9
Mw 518.25158281
CAS RN 93888-68-7
C_ID C00022120 ,
InChIKey XZOGRCCLWBRJHG-MNGBXGNFNA-N
InChICode InChI=1S/C28H38O9/c1-19(2)9-8-10-20(3)15-27(36-23(6)32)16-25(17-29)11-12-28(37-24(7)33)26(18-35-22(5)31)13-14-34-21(4)30/h9,11,13-15,17-18,27-28H,8,10,12,16H2,1-7H3/b14-13+,20-15+,25-11+,26-18-/t27-,28+/m1/s1
SMILES C(=C(C)C)CC/C(=C/[C@H](C/C(=C\C[C@H](OC(=O)C)/C(=C\OC(=O)C)/C=C/OC(=O)C)/C=O)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHalimedaceaeHalimeda sp. Ref.
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