(Q105140957)

English

6-[(S)-2-Hydroxy-3-(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyloxy)-3-methylbutyl]-7-methoxycoumarin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[3-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-7-methoxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

572.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₄

0 references

canonical SMILES

O=C1OC=2C=C(OC)C(=CC2C=C1)CC(O)C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)(C)C

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isomeric SMILES

COc1cc2oc(=O)ccc2cc1C[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Glehnia littoralis

1 reference

stated in

Coumarin Glycosides of Glehnia lifforalis Root and Rhizoma.

Identifiers

InChI

InChI=1S/C26H36O14/c1-25(2,17(28)7-13-6-12-4-5-18(29)38-15(12)8-14(13)35-3)40-23-21(32)20(31)19(30)16(39-23)9-36-24-22(33)26(34,10-27)11-37-24/h4-6,8,16-17,19-24,27-28,30-34H,7,9-11H2,1-3H3/t16-,17+,19-,20+,21-,22+,23+,24-,26-/m1/s1

0 references

InChIKey

KGSIZFPYDUGKFZ-YGEORFDXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGSIZFPYDUGKFZ-YGEORFDXSA-N

1 reference

(Q105140957)

6-[(S)-2-Hydroxy-3-(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyloxy)-3-methylbutyl]-7-methoxycoumarin

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