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CHEBI:218166 - Pestalotiopene C

ChEBI IDCHEBI:218166
ChEBI NamePestalotiopene C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35ClO10
Net Charge0
Average Mass555.020
Monoisotopic Mass554.19187
SMILESCOc1c(CO[C@]2(C)CC[C@@]3(O)C(C)(C)[C@@H](Cl)CC[C@]3(C)[C@H]2C(=O)O)c(O)c(C=O)c2c1C(=O)O[C@@H]2OC
InChIInChI=1S/C27H35ClO10/c1-24(2)15(28)7-8-25(3)20(21(31)32)26(4,9-10-27(24,25)34)37-12-14-18(30)13(11-29)16-17(19(14)35-5)22(33)38-23(16)36-6/h11,15,20,23,30,34H,7-10,12H2,1-6H3,(H,31,32)/t15-,20+,23-,25+,26+,27+/m0/s1
InChIKeyOYRFHCZDEIRGOU-AKXKAVLESA-N
Species of MetaboliteComponentSourceComments
Sarocladium strictum (ncbitaxon:5046) - DOI (10.1016/j.tetlet.2014.04.063)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopene C (CHEBI:218166) is a benzofurans (CHEBI:35259)
IUPAC Name 
(1R,2R,4aS,6S,8aR)-6-chloro-2-[[(1S)-7-ormyl-6-hydroxy-1,4-dimethoxy-3-oxo-1H-2-benzouran-5-yl]methoxy]-4a-hydroxy-2,5,5,8a-tetramethyl-1,3,4,6,7,8-hexahydronaphthalene-1-carboxylic acid
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