CHEBI:176018 - Pteroside D

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ChEBI Name Pteroside D
ChEBI ID CHEBI:176018
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H30O8
Net Charge 0
Average Mass 410.463
Monoisotopic Mass 410.19407
InChI InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1
InChIKey TUGWHBZURNWRDG-LNZAMEHWSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCC2=C(C3=C([C@H](O)C(C3=O)(C)C)C=C2C)C)CO
ChEBI Ontology
Outgoing Pteroside D (CHEBI:176018) is a glycoside (CHEBI:24400)
IUPAC Name
(3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
Manual Xref Database
28425575 ChemSpider
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Registry Number Type Source
35943-38-5 CAS Registry Number ChemIDplus