CHEBI:185988 - Mabioside D

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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 Mabioside D
ChEBI ID CHEBI:185988
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H70O14
Net Charge 0
Average Mass 799.008
Monoisotopic Mass 798.47656
InChI InChI=1S/C42H70O14/c1-19(2)10-13-26-41(9,50)33-21-11-12-24-38(6)16-15-25(37(4,5)23(38)14-17-39(24,7)40(21,8)36(49)42(33,51)56-26)55-35-32(48)30(46)28(44)22(54-35)18-52-34-31(47)29(45)27(43)20(3)53-34/h10,20-36,43-51H,11-18H2,1-9H3
InChIKey ORJZPSXCNAQWIV-UHFFFAOYSA-N
SMILES O1C2(O)C(C3C(C4(C(C5(C(CC4)C(C(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)C)CC5)(C)C)C)CC3)C)(C2O)C)C(O)(C1CC=C(C)C)C
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 Mabioside D (CHEBI:185988) is a triterpenoid (CHEBI:36615)
IUPAC Name
1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-enyl)-16-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-3,4,7-triol
Manual Xref Database
HMDB0040655 HMDB
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