CHEBI:219272 - Diaporindene A

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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 Diaporindene A
ChEBI ID CHEBI:219272
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H30O6
Net Charge 0
Average Mass 426.509
Monoisotopic Mass 426.20424
InChI InChI=1S/C25H30O6/c1-13-8-15(23-19(9-13)30-12-20(31-23)25(4,5)29)22-17(24(2,3)28)10-14-6-7-18(27)16(11-26)21(14)22/h6-9,11,17,20,22,27-29H,10,12H2,1-5H3/t17-,20-,22+/m0/s1
InChIKey VKNKNPXXDILXOC-RBDMOPTHSA-N
SMILES O=CC1=C(O)C=CC2=C1[C@H](C3=C4O[C@H](C(O)(C)C)COC4=CC(=C3)C)[C@@H](C(O)(C)C)C2
Metabolite of Species Details
Diaporthe (NCBI:txid36922) See: PubMed
ChEBI Ontology
Outgoing Diaporindene A (CHEBI:219272) is a benzodioxine (CHEBI:64096)
IUPAC Name
(2S,3R)-5-hydroxy-2-(2-hydroxypropan-2-yl)-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3-dihydro-1H-indene-4-carbaldehyde
Manual Xref Database
71048523 ChemSpider
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