CHEBI:203524 - Sulpinine B

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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 Sulpinine B
ChEBI ID CHEBI:203524
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H41NO3
Net Charge 0
Average Mass 487.684
Monoisotopic Mass 487.30864
InChI InChI=1S/C32H41NO3/c1-8-29(4,5)19-9-10-21-22-15-20-11-14-32(35)23-17-25(34)27(18(2)3)36-26(23)12-13-30(32,6)31(20,7)28(22)33-24(21)16-19/h8-10,16-17,20,25-27,33-35H,1-2,11-15H2,3-7H3/t20-,25+,26-,27+,30+,31+,32+/m0/s1
InChIKey XPYLFGPDHCCOLE-IDNFIPLESA-N
SMILES O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=C(C(C=C)(C)C)C=CC6C5C4)C)C
Metabolite of Species Details
Aspergillus sulphureus (NCBI:txid138284) See: DOI
ChEBI Ontology
Outgoing Sulpinine B (CHEBI:203524) is a organic heterotricyclic compound (CHEBI:26979)
Sulpinine B (CHEBI:203524) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,5S,7R,8R,11S,14S)-1,2-dimethyl-20-(2-methylbut-3-en-2-yl)-7-prop-1-en-2-yl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaene-8,11-diol
Manual Xref Database
10256272 ChemSpider
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