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CHEBI:200667 - Indosespene

ChEBI IDCHEBI:200667
ChEBI NameIndosespene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO3
Net Charge0
Average Mass367.489
Monoisotopic Mass367.21474
SMILESC=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)C(=O)O)[C@H]1Cc1cnc2ccccc12
InChIInChI=1S/C23H29NO3/c1-14-8-9-19-22(2,11-10-20(25)23(19,3)21(26)27)17(14)12-15-13-24-18-7-5-4-6-16(15)18/h4-7,13,17,19-20,24-25H,1,8-12H2,2-3H3,(H,26,27)/t17-,19+,20-,22+,23-/m0/s1
InChIKeyQDZOYOCJZCVSSV-BZJMLBMJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21528153)
ChEBI Ontology
Outgoing Relation(s)
Indosespene (CHEBI:200667) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2S,4aR,5S,8aR)-2-hydroxy-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual XrefsDatabases
27025490ChemSpider