CHEBI:201556 - Rugulosin ((+) form)

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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 Rugulosin ((+) form)
ChEBI ID CHEBI:201556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H22O10
Net Charge 0
Average Mass 542.496
Monoisotopic Mass 542.12130
InChI InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3
InChIKey QFDPVUTXKUGISP-UHFFFAOYSA-N
SMILES O=C1C2=C(C(O)=C3C14C5C(=O)C6=C(O)C=7C(O)=CC(=CC7C(C86C(C4C(O)C8C3=O)C5O)=O)C)C(O)=CC(=C2)C
ChEBI Ontology
Outgoing Rugulosin ((+) form) (CHEBI:201556) is a naphthols (CHEBI:25392)
IUPAC Name
8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone
Manual Xref Database
56511 ChemSpider
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