CHEBI:198827 - Kibdelone C

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 Kibdelone C
ChEBI ID CHEBI:198827
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H28ClNO10
Net Charge 0
Average Mass 585.990
Monoisotopic Mass 585.14017
InChI InChI=1S/C29H28ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)24(37)19-25(38)18-22(35)12(32)8-13(33)27(18)41-28(19)26(10)40-3/h12-13,22,32-37H,4-8H2,1-3H3/t12-,13-,22-/m1/s1
InChIKey NEZGGHIIKFHZCZ-GIYNXVAASA-N
SMILES ClC=1C2=C(O)C3=C(C4=C(O)C=5C(=O)C6=C([C@H](O)C[C@H]([C@H]6O)O)OC5C(=C4CC3)OC)C(=C2C(=O)N(C1CCC)C)O
Metabolite of Species Details
Kibdelosporangium (NCBI:txid2029) See: PubMed
ChEBI Ontology
Outgoing Kibdelone C (CHEBI:198827) is a xanthones (CHEBI:51149)
IUPAC Name
(19R,21R,22S)-8-chloro-3,10,19,21,22,26-hexahydroxy-15-methoxy-6-methyl-7-propyl-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,7,9,15,18(23),25-octaene-5,24-dione
Manual Xref Database
26232103 ChemSpider
View more database links