input word = C00056299

Metabolite InformationStructural formula
Name 6''-O-(8-Hydroxy-5,6-octadienoyl)isosalipurposide
Formula C29H32O12
Mw 572.18937649
CAS RN 1000597-32-9
C_ID C00056299
InChIKey UREYLMYYTAVPKZ-WFUJJZLASA-N
InChICode InChI=1S/C29H32O12/c30-13-5-3-1-2-4-6-24(35)39-16-23-26(36)27(37)28(38)29(41-23)40-22-15-19(32)14-21(34)25(22)20(33)12-9-17-7-10-18(31)11-8-17/h1,5,7-12,14-15,23,26-32,34,36-38H,2,4,6,13,16H2/b12-9+/t3?,23-,26-,27+,28-,29-/m1/s1
SMILES O=C(/C=C/C1=CC=C(O)C=C1)C2=C(O)C=C(O)C=C2O[C@@H]3O[C@H](COC(CCCC=C=CCO)=O)[C@@H](O)[C@H](O)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium sebiferum Ref.
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OrganismSapium sebiferum
ReferencePuri, B. et al., CA, 1955, 49, 4942 (Neosakuranin)