Sporidesmin C (CHEBI:219287)

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 C

ChEBI ID	CHEBI:219287

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H20ClN3O6S3

Net Charge

Average Mass

506.000

Monoisotopic Mass

505.02028

InChI

InChI=1S/C18H20ClN3O6S3/c1-20-9-6-29-31-30-18(16(20)25)14(24)17(26)7-5-8(19)11(27-3)12(28-4)10(7)21(2)15(17)22(18)13(9)23/h5,9,14-15,24,26H,6H2,1-4H3

InChIKey

VUWFDUNAWUUIJJ-UHFFFAOYSA-N

SMILES

ClC1=C(OC)C(OC)=C2N(C)C3C(C2=C1)(O)C(O)C45SSSCC(C(N34)=O)N(C5=O)C

Metabolite of Species	Details
Pithomyces chartarum (NCBI:txid1547544)	See: DOI

ChEBI Ontology
Outgoing	Sporidesmin C (CHEBI:219287) is a pyrroloindole (CHEBI:48133)

IUPAC Name

6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,20-dimethyl-16,17,18-trithia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione