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CHEBI:177962 - Sambacin

ChEBI IDCHEBI:177962
ChEBI NameSambacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O12
Net Charge0
Average Mass540.562
Monoisotopic Mass540.22068
SMILES[H][C@]12C[C@@]([H])([C@@H](C)CO)[C@]([H])(COC(=O)/C=C3/C(=COC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=CC)C(=O)O1)[C@H]2C
InChIInChI=1S/C26H36O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,6,10-12,14,16,18-19,21-23,25-28,30-32H,5,7-9H2,1-3H3/b13-4?,15-6+/t11-,12+,14-,16+,18+,19+,21+,22-,23+,25?,26-/m0/s1
InChIKeySIVWXOPASOMQQC-QRTIIMGYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
Sambacin (CHEBI:177962) is a glycoside (CHEBI:24400)
IUPAC Name 
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
Manual XrefsDatabases
HMDB0038883HMDB
35014684ChemSpider