CHEBI:188258 - Torvoside 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 Torvoside D
ChEBI ID CHEBI:188258
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H62O13
Net Charge 0
Average Mass 726.901
Monoisotopic Mass 726.41904
InChI InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3
InChIKey FOCICMJCJFCWOL-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(C5(C(C(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C)C4)CC(O)CC5)C)CC3)C2)C)C(C18OCC(CC8O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing Torvoside D (CHEBI:188258) is a steroid saponin (CHEBI:61655)
IUPAC Name
2-[2-(3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl)oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxyoxane-3,4,5-triol
Manual Xref Database
HMDB0029624 HMDB
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