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CHEBI:199989 - 5-hydroxy-7-(4-hydroxydec-2(3)-enoyl) botrylactone

ChEBI IDCHEBI:199989
ChEBI Name5-hydroxy-7-(4-hydroxydec-2(3)-enoyl) botrylactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O7
Net Charge0
Average Mass440.577
Monoisotopic Mass440.27740
SMILESCCCCCCC(O)C=CCO[C@@H]1[C@@H](C)[C@H](O)[C@]2(C)O[C@@]1(C)[C@@]1(C)OC(=O)[C@H](C)[C@@H]2O1
InChIInChI=1S/C24H40O7/c1-7-8-9-10-12-17(25)13-11-14-28-20-15(2)18(26)22(4)19-16(3)21(27)30-24(6,29-19)23(20,5)31-22/h11,13,15-20,25-26H,7-10,12,14H2,1-6H3/t15-,16+,17?,18-,19-,20+,22-,23+,24+/m0/s1
InChIKeyIWOGBRLVZBYBFT-TYOYNPPUSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/j.tet.2010.11.022)
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-7-(4-hydroxydec-2(3)-enoyl) botrylactone (CHEBI:199989) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(1R,2R,5R,6S,7S,8S,9S,10R)-8-hydroxy-10-(4-hydroxydec-2-enoxy)-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one