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CHEBI:168261 - Bisnorbadioquinone A

ChEBI IDCHEBI:168261
ChEBI NameBisnorbadioquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H18O14
Net Charge0
Average Mass650.504
Monoisotopic Mass650.06966
SMILESO=C1C=C(C2=C(O)/C(=C(\C(=O)O)c3ccc(O)cc3)OC2=O)c2cc(C3=C(O)/C(=C(\C(=O)O)c4ccc(O)cc4)OC3=O)ccc2C1=O
InChIInChI=1S/C34H18O14/c35-16-6-1-13(2-7-16)23(31(41)42)29-27(39)22(33(45)47-29)15-5-10-18-19(11-15)20(12-21(37)26(18)38)25-28(40)30(48-34(25)46)24(32(43)44)14-3-8-17(36)9-4-14/h1-12,35-36,39-40H,(H,41,42)(H,43,44)/b29-23+,30-24+
InChIKeyDPDCZWLANAIGKX-HCTXVGCHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Bisnorbadioquinone A (CHEBI:168261) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2E)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxouran-3-yl]-5,6-dioxonaphthalen-2-yl]-3-hydroxy-5-oxouran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid