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CHEBI:207336 - 1,2-Dihydro-acetoxydehydroaustin B

ChEBI IDCHEBI:207336
ChEBI Name1,2-Dihydro-acetoxydehydroaustin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O11
Net Charge0
Average Mass558.580
Monoisotopic Mass558.21011
SMILESC=C1[C@@]23C(=O)O[C@H](C)[C@@]24O[C@@]2(C(=C)[C@]5(CCC(=O)OC5(C)C)C[C@@H](OC(C)=O)[C@]32C)[C@H](OC(C)=O)[C@@]1(C)OC4=O
InChIInChI=1S/C29H34O11/c1-13-24(8)20(37-17(5)31)28-14(2)26(11-10-19(32)38-23(26,6)7)12-18(36-16(4)30)25(28,9)27(13)21(33)35-15(3)29(27,40-28)22(34)39-24/h15,18,20H,1-2,10-12H2,3-9H3/t15-,18-,20-,24+,25-,26+,27+,28+,29+/m1/s1
InChIKeyUDKVZXSAHWTGCN-MIOOGCPZSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies 085241B (ncbitaxon:1071384) - DOI (10.1002/hlca.201100111)
ChEBI Ontology
Outgoing Relation(s)
1,2-Dihydro-acetoxydehydroaustin B (CHEBI:207336) has functional parent hexacarboxylic acid (CHEBI:59359)
1,2-Dihydro-acetoxydehydroaustin B (CHEBI:207336) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,3R,5S,7R,8R,9S,12S,13R)-8-acetyloxy-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