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CHEBI:199691 - Phomopsichalasin

ChEBI IDCHEBI:199691
ChEBI NamePhomopsichalasin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO4
Net Charge0
Average Mass503.683
Monoisotopic Mass503.30356
SMILESCC1=C[C@]2(C)[C@@H]3C(C)=C[C@]4(C)C[C@@H](C)CC[C@H]4[C@@H]3C(=O)[C@@]23C(=O)N[C@@](O)(Cc2ccc(O)cc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20+,23-,24-,25+,26-,29-,30+,31+,32-/m0/s1
InChIKeyAEKBQYOSHUYACR-AHWJCDHHSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1016/0040-4020(95)00139-y)
ChEBI Ontology
Outgoing Relation(s)
Phomopsichalasin (CHEBI:199691) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2R,5S,6R,7R,10S,12S,13S,16S,18R)-7-hydroxy-7-[(4-hydroxyphenyl)methyl]-2,4,5,16,18,20-hexamethyl-8-azapentacyclo[10.8.0.02,10.06,10.013,18]icosa-3,19-diene-9,11-dione
Manual XrefsDatabases
78441956ChemSpider