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CHEBI:198533 - Phenochalasin B

ChEBI IDCHEBI:198533
ChEBI NamePhenochalasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO8
Net Charge0
Average Mass525.598
Monoisotopic Mass525.23627
SMILESCOc1ccc(C[C@@H]2NC(=O)[C@@]34OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]3O[C@]3(C)[C@@H](C)[C@@H]24)cc1
InChIInChI=1S/C29H35NO8/c1-16-7-6-8-20-24-28(4,37-24)17(2)22-21(15-18-9-11-19(35-5)12-10-18)30-25(32)29(20,22)38-26(33)36-14-13-27(3,34)23(16)31/h6,8-14,16-17,20-22,24,34H,7,15H2,1-5H3,(H,30,32)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m0/s1
InChIKeyLVWIBRGJAUUGDB-PZOHNQLKSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (10604753)
ChEBI Ontology
Outgoing Relation(s)
Phenochalasin B (CHEBI:198533) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione
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78436370ChemSpider