CHEBI:176063 - Heliocide B2

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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 Heliocide B2
ChEBI ID CHEBI:176063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O5
Net Charge 0
Average Mass 424.537
Monoisotopic Mass 424.22497
InChI InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-26(5)18(12-16)23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(26)30/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3
InChIKey FGQZFAWOAMMXKN-UHFFFAOYSA-N
SMILES O=C1C2(C(CC(=CC2)CCC=C(C)C)C(=O)C=3C1=C(C(C)C)C(OC)=C(O)C3C=O)C
ChEBI Ontology
Outgoing Heliocide B2 (CHEBI:176063) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
2-hydroxy-3-methoxy-10a-methyl-7-(4-methylpent-3-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde
Manual Xrefs Databases
35015011 ChemSpider
HMDB0040747 HMDB
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