CHEBI:220349 - Cytoglobosin Ab

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cytoglobosin Ab
ChEBI ID CHEBI:220349
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36N2O5
Net Charge 0
Average Mass 528.649
Monoisotopic Mass 528.26242
InChI InChI=1S/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-16,21-22,24,26-28,33,36-37H,3,8,12-13H2,1-2,4H3,(H,34,39)/b10-7+/t15-,16+,21-,22-,24-,26+,27-,28+,32+/m0/s1
InChIKey VROGJHMZKMLYET-PYQCMCISSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@@H]([C@H]4[C@H](C1)C(=O)C(O)=C4C)C)O)=C)CC=5C6=C(C=CC=C6)NC5
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Cytoglobosin Ab (CHEBI:220349) is a indoles (CHEBI:24828)
IUPAC Name
(1R,4S,8S,9S,11E,13R,14S,16S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11-diene-2,5,20-trione
Manual Xref Database
78441855 ChemSpider
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