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CHEBI:226714 - 7-acetoxydehydroaustinol

ChEBI IDCHEBI:226714
ChEBI Name7-acetoxydehydroaustinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O10
Net Charge0
Average Mass514.527
Monoisotopic Mass514.18390
SMILESC=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C=CC(=O)OC5(C)C)C[C@@H](OC(C)=O)[C@]32C)[C@H](O)[C@@]1(C)OC4=O
InChIInChI=1S/C27H30O10/c1-12-22(7)18(30)26-13(2)24(10-9-17(29)35-21(24,5)6)11-16(34-15(4)28)23(26,8)25(12)19(31)33-14(3)27(25,37-26)20(32)36-22/h9-10,14,16,18,30H,1-2,11H2,3-8H3/t14-,16-,18-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyXBEHMUKXQBIBCH-UEAOMNGASA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SF-5497 (ncbitaxon:1855734) - PubMed (29463888)
ChEBI Ontology
Outgoing Relation(s)
7-acetoxydehydroaustinol (CHEBI:226714) has functional parent tetracarboxylic acid (CHEBI:35742)
7-acetoxydehydroaustinol (CHEBI:226714) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,3R,5R,7R,8R,9S,12R,13R)-8-hydroxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-pyran]-3-yl] acetate
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