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CHEBI:226106 - Dipleosporalone A

ChEBI IDCHEBI:226106
ChEBI NameDipleosporalone A
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SubmitterMetaboLights
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FormulaC42H44O16
Net Charge0
Average Mass804.798
Monoisotopic Mass804.26294
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC([C@H]3[C@H](CO)[C@H]4C(=O)[C@@](C)(O)[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5COC(/C=C/CO)=C[C@]453)=CC2=CC(=O)[C@@]1(C)O
InChIInChI=1S/C42H44O16/c1-18-8-21(45)12-27(47)31(18)38(51)57-36-25-16-56-29(10-20(25)11-30(49)40(36,3)53)33-24(15-44)34-35(50)41(4,54)37(26-17-55-23(6-5-7-43)14-42(26,33)34)58-39(52)32-19(2)9-22(46)13-28(32)48/h5-6,8-14,24-26,33-34,36-37,43-48,53-54H,7,15-17H2,1-4H3/b6-5+/t24-,25+,26-,33+,34-,36-,37-,40+,41+,42-/m0/s1
InChIKeyFUWFNSRXPMRCGQ-IJCXDAKDSA-N
ChEBI Ontology
Outgoing Relation(s)
Dipleosporalone A (CHEBI:226106) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-3-[(4aS,5S,6S,7aR,8S,9S,9aR)-5-(2,4-dihydroxy-6-methylbenzoyl)oxy-6-hydroxy-8-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-6-methyl-7-oxo-4,4a,5,7a,8,9-hexahydrocyclobuta[e]isochromen-9-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
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