CHEBI:189944 - Hoduloside VII

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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 VII
ChEBI ID CHEBI:189944
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H78O18
Net Charge 0
Average Mass 931.123
Monoisotopic Mass 930.51882
InChI InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+
InChIKey YAFOSOWHFJFSLN-NTEUORMPSA-N
SMILES O(CC12C3(C(C4(C(CC3)C(C(OC5OCC(O)C(O)C5OC6OC(C(O)C(O)C6O)C)CC4)(C)C)C)CCC1C(C(=O)C2)C(O)(C/C=C/C(O)(C)C)C)C)C7OC(C(O)C(O)C7O)CO
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Hoduloside VII (CHEBI:189944) is a triterpenoid (CHEBI:36615)
IUPAC Name
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-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
HMDB0040659 HMDB
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