CHEBI:175474 - Dihydroxyacidissiminol

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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 Dihydroxyacidissiminol
ChEBI ID CHEBI:175474
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H33NO5
Net Charge 0
Average Mass 427.541
Monoisotopic Mass 427.23587
InChI InChI=1S/C25H33NO5/c1-18(22(27)17-23(28)25(2,3)30)14-16-31-21-11-9-19(10-12-21)13-15-26-24(29)20-7-5-4-6-8-20/h4-12,14,22-23,27-28,30H,13,15-17H2,1-3H3,(H,26,29)/b18-14+
InChIKey GDCAKUNBXRNADM-NBVRZTHBSA-N
SMILES OC(C(O)(C)C)CC(O)/C(=C/COC1=CC=C(CCNC(=O)C2=CC=CC=C2)C=C1)/C
ChEBI Ontology
Outgoing Dihydroxyacidissiminol (CHEBI:175474) is a benzamides (CHEBI:22702)
IUPAC Name
N-[2-[4-[(E)-4,6,7-trihydroxy-3,7-dimethyloct-2-enoxy]phenyl]ethyl]benzamide
Manual Xrefs Databases
35015028 ChemSpider
HMDB0040792 HMDB
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