CHEBI:210393 - Hexaricin D

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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 Hexaricin D
ChEBI ID CHEBI:210393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H26O10
Net Charge 0
Average Mass 558.539
Monoisotopic Mass 558.15260
InChI InChI=1S/C31H26O10/c1-11(2)30(37)41-17-10-14-9-13-8-12(3)40-31(38)19(13)26(34)18(14)22-21(17)29(39-4)24-23(28(22)36)25(33)15-6-5-7-16(32)20(15)27(24)35/h5-7,9,11-12,17,32,34,36H,8,10H2,1-4H3/t12?,17-/m1/s1
InChIKey HZHJHKZRDORTGL-RGUGMKFQSA-N
SMILES O=C1OC(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C(C)C)CC3C2)OC)=O)C
Metabolite of Species Details
Streptosporangium (NCBI:txid2000) See: PubMed
ChEBI Ontology
Outgoing Hexaricin D (CHEBI:210393) is a quinone (CHEBI:36141)
Hexaricin D (CHEBI:210393) is a tetracenes (CHEBI:51270)
IUPAC Name
[(13R)-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] 2-methylpropanoate
Manual Xref Database
71048478 ChemSpider
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