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CHEBI:207656 - 2-hydroacetoxydehydroaustin

ChEBI IDCHEBI:207656
ChEBI Name2-hydroacetoxydehydroaustin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O12
Net Charge0
Average Mass574.579
Monoisotopic Mass574.20503
SMILESC=C1[C@@]23C(=O)O[C@H](C)[C@]24O[C@@]2(C(=C)[C@]5(C[C@H](O)C(=O)OC5(C)C)C[C@@H](OC(C)=O)[C@]32C)[C@H](OC(C)=O)[C@@]1(C)OC4=O
InChIInChI=1S/C29H34O12/c1-12-24(8)20(38-16(5)31)28-13(2)26(10-17(32)19(33)39-23(26,6)7)11-18(37-15(4)30)25(28,9)27(12)21(34)36-14(3)29(27,41-28)22(35)40-24/h14,17-18,20,32H,1-2,10-11H2,3-9H3/t14-,17+,18-,20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyAAPBNQSLXVWXNI-OFKDBGQDSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies 16-5C (ncbitaxon:1284283) - PubMed (28467349)
ChEBI Ontology
Outgoing Relation(s)
2-hydroacetoxydehydroaustin (CHEBI:207656) has functional parent hexacarboxylic acid (CHEBI:59359)
2-hydroacetoxydehydroaustin (CHEBI:207656) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,3R,5S,5'S,7R,8R,9S,12R,13R)-8-acetyloxy-5'-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'-oxane]-3-yl] acetate
Manual XrefsDatabases
61708525ChemSpider