CHEBI:185164 - Hoduloside VI

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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 Hoduloside VI
ChEBI ID CHEBI:185164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H68O14
Net Charge 0
Average Mass 784.981
Monoisotopic Mass 784.46091
InChI InChI=1S/C41H68O14/c1-36(2,50)13-8-14-40(7,51)28-21-9-10-26-38(5)15-12-27(55-34-32(48)29(45)23(44)19-52-34)37(3,4)25(38)11-16-39(26,6)41(21,17-22(28)43)20-53-35-33(49)31(47)30(46)24(18-42)54-35/h8,13,21,23-35,42,44-51H,9-12,14-20H2,1-7H3/b13-8+
InChIKey VBKOGDDRGMIPNJ-MDWZMJQESA-N
SMILES O(CC12C3(C(C4(C(CC3)C(C(OC5OCC(O)C(O)C5O)CC4)(C)C)C)CCC1C(C(=O)C2)C(O)(C/C=C/C(O)(C)C)C)C)C6OC(C(O)C(O)C6O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Hoduloside VI (CHEBI:185164) is a triterpenoid (CHEBI:36615)
IUPAC Name
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual Xref Database
HMDB0040658 HMDB
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