CHEBI:197258 - 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol

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ChEBI Name 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol
ChEBI ID CHEBI:197258
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H70O9
Net Charge 0
Average Mass 646.947
Monoisotopic Mass 646.50198
InChI InChI=1S/C36H70O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29-30,32-39,41-43H,2-28H2,1H3/t29-,30-,32?,33-,34?,35+,36+/m1/s1
InChIKey FLTYZENFEZKFQJ-FKZAWVABSA-N
SMILES O1C([C@@H](O)C(O)[C@H](O)[C@H]1OCC[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC(=O)C[C@H](O)C)CO
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol (CHEBI:197258) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
(2R,28R)-2,28-dihydroxy-30-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-4-one
Manual Xrefs Databases
24822138 ChemSpider
LMFA13010029 LIPID MAPS
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