CHEBI:229163 - Marchantin E

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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 Marchantin E
ChEBI ID CHEBI:229163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H26O6
Net Charge 0
Average Mass 470.521
Monoisotopic Mass 470.17294
InChI InChI=1S/C29H26O6/c1-33-26-15-19-4-2-6-23(14-19)35-29-20(5-3-7-24(29)30)11-8-18-9-12-22(13-10-18)34-27-17-21(26)16-25(31)28(27)32/h2-7,9-10,12-14,16-17,26,30-32H,8,11,15H2,1H3
InChIKey FMXHHHCREWAZNN-UHFFFAOYSA-N
SMILES O(C1CC2=CC(OC3=C(CCC4=CC=C(OC5=CC1=CC(O)=C5O)C=C4)C=CC=C3O)=CC=C2)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Marchantin E (CHEBI:229163) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
8-methoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,5,17-triol
Manual Xref Database
4477610 ChemSpider
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