CHEBI:210399 - Hexaricin E

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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 E
ChEBI ID CHEBI:210399
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H24O10
Net Charge 0
Average Mass 544.512
Monoisotopic Mass 544.13695
InChI InChI=1S/C30H24O10/c1-4-17(32)40-16-10-13-9-12-8-11(2)39-30(37)19(12)26(34)18(13)22-21(16)29(38-3)24-23(28(22)36)25(33)14-6-5-7-15(31)20(14)27(24)35/h5-7,9,11,16,31,34,36H,4,8,10H2,1-3H3/t11?,16-/m1/s1
InChIKey AKYMKELYWCSLHP-WVQRXBFSSA-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)CC)CC3C2)OC)=O)C
Metabolite of Species Details
Streptosporangium (NCBI:txid2000) See: PubMed
ChEBI Ontology
Outgoing Hexaricin E (CHEBI:210399) is a quinone (CHEBI:36141)
Hexaricin E (CHEBI:210399) 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] propanoate
Manual Xref Database
71048479 ChemSpider
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