CHEBI:180887 - Hoduloside X

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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 X
ChEBI ID CHEBI:180887
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H88O23
Net Charge 0
Average Mass 1093.264
Monoisotopic Mass 1092.57164
InChI InChI=1S/C53H88O23/c1-23-33(58)39(64)43(75-45-41(66)38(63)36(61)28(20-55)73-45)47(71-23)76-42-34(59)26(57)21-69-46(42)74-31-13-16-50(6)29(49(31,4)5)12-17-51(7)30(50)11-10-24-32(52(8,68)15-9-14-48(2,3)67)25(56)18-53(24,51)22-70-44-40(65)37(62)35(60)27(19-54)72-44/h9,14,23-24,26-47,54-55,57-68H,10-13,15-22H2,1-8H3/b14-9+
InChIKey MCLHEEFYPPASJO-NTEUORMPSA-N
SMILES O(CC12C3(C(C4(C(CC3)C(C(OC5OCC(O)C(O)C5OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)C)CC4)(C)C)C)CCC1C(C(=O)C2)C(O)(C/C=C/C(O)(C)C)C)C)C8OC(C(O)C(O)C8O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Hoduloside X (CHEBI:180887) is a triterpenoid (CHEBI:36615)
IUPAC Name
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-[3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual Xref Database
HMDB0040662 HMDB
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