CHEBI:219293 - Sporidesmin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Sporidesmin D
ChEBI ID CHEBI:219293
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26ClN3O6S2
Net Charge 0
Average Mass 504.010
Monoisotopic Mass 503.09516
InChI InChI=1S/C20H26ClN3O6S2/c1-18(31-6)16(26)24-15-19(28,14(25)20(24,32-7)17(27)23(18)3)9-8-10(21)12(29-4)13(30-5)11(9)22(15)2/h8,14-15,25,28H,1-7H3/t14-,15-,18-,19-,20-/m1/s1
InChIKey CKKYQBFKVBEKFR-UYUBTLJZSA-N
SMILES ClC1=C(OC)C(OC)=C2N(C)[C@H]3[C@](C2=C1)(O)[C@@H](O)[C@@]4(SC)C(=O)N(C)[C@@](C(N34)=O)(SC)C
Metabolite of Species Details
Pithomyces chartarum (NCBI:txid1547544) See: DOI
ChEBI Ontology
Outgoing Sporidesmin D (CHEBI:219293) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1R,4R,7R,8R,9S)-12-chloro-8,9-dihydroxy-13,14-dimethoxy-4,5,16-trimethyl-4,7-bis(methylsulanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
32697430 ChemSpider
View more database links