CHEBI:139449 - Gaultherin

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ChEBI Name Gaultherin
ChEBI ID CHEBI:139449
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H26O12
Net Charge 0
Average Mass 446.403
Monoisotopic Mass 446.14243
InChI InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1
InChIKey VHUNCYDAXJGCLO-AHMNSWSSSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(=CC=CC2)C(OC)=O)CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O
ChEBI Ontology
Outgoing Gaultherin (CHEBI:139449) is a glycoside (CHEBI:24400)
Manual Xref Database
4474618 ChemSpider
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Last Modified
16 January 2018