CHEBI:188604 - cadiolide B

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ChEBI Name cadiolide B
ChEBI ID CHEBI:188604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H10Br6O6
Net Charge 0
Average Mass 873.762
Monoisotopic Mass 867.55777
InChI InChI=1S/C24H10Br6O6/c25-11-1-8(2-12(26)21(11)32)3-17-18(9-4-13(27)22(33)14(28)5-9)19(24(35)36-17)20(31)10-6-15(29)23(34)16(30)7-10/h1-7,32-34H/b17-3-
InChIKey CJOZHMMQXWACBU-YPEHOIGNSA-N
SMILES BrC1=CC(C\2=C(C(O/C2=C\C3=CC(Br)=C(O)C(Br)=C3)=O)C(=O)C4=CC(Br)=C(O)C(Br)=C4)=CC(Br)=C1O
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing cadiolide B (CHEBI:188604) has functional parent cinnamic acid (CHEBI:27386)
cadiolide B (CHEBI:188604) is a olefinic compound (CHEBI:78840)
IUPAC Name
(5Z)-3-(3,5-dibromo-4-hydroxybenzoyl)-4-(3,5-dibromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]uran-2-one
Manual Xref Database
9575184 ChemSpider
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