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CHEBI:198110 - 7-hydroxydehydroaustin

ChEBI IDCHEBI:198110
ChEBI Name7-hydroxydehydroaustin
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](O)[C@@]32C)[C@@H](OC(C)=O)[C@]1(C)OC4=O
InChIInChI=1S/C27H30O10/c1-12-22(7)18(34-15(4)28)26-13(2)24(10-9-17(30)35-21(24,5)6)11-16(29)23(26,8)25(12)19(31)33-14(3)27(25,37-26)20(32)36-22/h9-10,14,16,18,29H,1-2,11H2,3-8H3/t14-,16-,18-,22+,23-,24+,25+,26+,27-/m0/s1
InChIKeyRPVGSSWTJOSAQC-FDJQMSBESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2014.12.009)
ChEBI Ontology
Outgoing Relation(s)
7-hydroxydehydroaustin (CHEBI:198110) has functional parent tetracarboxylic acid (CHEBI:35742)
7-hydroxydehydroaustin (CHEBI:198110) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2R,3S,5S,7S,8S,9R,12S,13S)-3-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]-8-yl] acetate
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35516793ChemSpider