CHEBI:220398 - WS 79089C

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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 WS 79089C
ChEBI ID CHEBI:220398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H22O10
Net Charge 0
Average Mass 530.485
Monoisotopic Mass 530.12130
InChI InChI=1S/C29H22O10/c1-10-7-12-8-13-9-16(39-11(2)30)20-21(17(13)25(33)18(12)29(36)38-10)27(35)22-23(28(20)37-3)26(34)19-14(24(22)32)5-4-6-15(19)31/h4-6,8,10,16,31,33,35H,7,9H2,1-3H3
InChIKey KPZZVJIBEBNPBQ-UHFFFAOYSA-N
SMILES O=C1OC(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4C(OC(=O)C)CC3C2)OC)=O)C
Metabolite of Species Details
Streptosporangium (NCBI:txid2000) See: PubMed
ChEBI Ontology
Outgoing WS 79089C (CHEBI:220398) is a quinone (CHEBI:36141)
WS 79089C (CHEBI:220398) is a tetracenes (CHEBI:51270)
IUPAC Name
(3,19,26-trihydroxy-15-methoxy-7-methyl-5,17,24-trioxo-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,15,18(23),19,21,25-nonaen-13-yl) acetate
Manual Xref Database
138902 ChemSpider
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