CHEBI:212688 - Seragakinone A

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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 Seragakinone A
ChEBI ID CHEBI:212688
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H26O12
Net Charge 0
Average Mass 530.482
Monoisotopic Mass 530.14243
InChI InChI=1S/C26H26O12/c1-9(27)15-13(29)7-25(35)22-24(8-14(38-22)23(2,3)34)17(21(33)26(25,36)20(15)32)18(30)16-11(19(24)31)5-10(37-4)6-12(16)28/h5-6,14,22,28,30,32,34-36H,7-8H2,1-4H3/t14-,22+,24+,25-,26+/m0/s1
InChIKey CMHGCGOFAOLPJT-LJADVZERSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C([C@]24[C@@H](O[C@@H](C4)C(O)(C)C)[C@@]5([C@@]1(O)C(O)=C(C(=O)C5)C(=O)C)O)=O
ChEBI Ontology
Outgoing Seragakinone A (CHEBI:212688) is a quinone (CHEBI:36141)
Seragakinone A (CHEBI:212688) is a tetracenes (CHEBI:51270)
IUPAC Name
(1S,3S,5R,6S,11S)-9-acetyl-6,10,11,14,16-pentahydroxy-3-(2-hydroxypropan-2-yl)-18-methoxy-4-oxapentacyclo[11.8.0.01,5.06,11.015,20]henicosa-9,13,15(20),16,18-pentaene-8,12,21-trione
Manual Xref Database
8825245 ChemSpider
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