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CHEBI:213745 - Leporizine A

ChEBI IDCHEBI:213745
ChEBI NameLeporizine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H25N3O8S3
Net Charge0
Average Mass591.689
Monoisotopic Mass591.08038
SMILESC[C@H]1OC2=C(C(=O)C3(O)C(C2)N2C(=O)[C@]45SSS[C@]2(C(=O)N4[C@@H]2Nc4ccccc4C2(O)[C@@H]5O)[C@H]3O)C1(C)C
InChIInChI=1S/C25H25N3O8S3/c1-9-21(2,3)14-12(36-9)8-13-23(35,15(14)29)17(31)24-20(33)28-18-22(34,10-6-4-5-7-11(10)26-18)16(30)25(28,38-39-37-24)19(32)27(13)24/h4-7,9,13,16-18,26,30-31,34-35H,8H2,1-3H3/t9-,13?,16+,17+,18+,22?,23?,24+,25+/m1/s1
InChIKeyFNAHDZRIHBAXIG-RHMOHGSJSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (24050204)
ChEBI Ontology
Outgoing Relation(s)
Leporizine A (CHEBI:213745) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,8R,13S,14S,17S,26S)-12,13,25,26-tetrahydroxy-8,9,9-trimethyl-7-oxa-27,28,29-trithia-3,16,18-triazaoctacyclo[12.12.3.01,16.03,14.04,12.06,10.017,25.019,24]nonacosa-6(10),19,21,23-tetraene-2,11,15-trione
Manual XrefsDatabases
78445271ChemSpider