CHEBI:221148 - Bisordariol C

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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 Bisordariol C
ChEBI ID CHEBI:221148
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O7
Net Charge 0
Average Mass 430.497
Monoisotopic Mass 430.19915
InChI InChI=1S/C24H30O7/c1-15(25)21(27)11-9-17-5-3-7-23(29)19(17)13-31-14-20-18(6-4-8-24(20)30)10-12-22(28)16(2)26/h3-12,15-16,21-22,25-30H,13-14H2,1-2H3/b11-9+,12-10+/t15-,16-,21+,22+/m0/s1
InChIKey IMWJOFJUOOBDIY-CKJGPPSPSA-N
SMILES O(CC1=C(O)C=CC=C1/C=C/[C@@H](O)[C@@H](O)C)CC2=C(O)C=CC=C2/C=C/[C@@H](O)[C@@H](O)C
Metabolite of Species Details
Sordaria macrospora (NCBI:txid5147) See: DOI
ChEBI Ontology
Outgoing Bisordariol C (CHEBI:221148) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
(E,2S,3R)-5-[2-[[2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-hydroxyphenyl]methoxymethyl]-3-hydroxyphenyl]pent-4-ene-2,3-diol
Manual Xref Database
78437674 ChemSpider
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