(Q105008096)

English

(2E,6R)-2,6-Dimethyl-6-(6-deoxy-beta-D-glucopyranosyloxy)-2,7-octadienoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2E)-2,6-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyocta-2,7-dienoic acid

1 reference

based on heuristic

inferred from SMILES

2,6-Dimethyl-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyocta-2,7-dienoic acid

1 reference

based on heuristic

inferred from SMILES

mass

330.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,6S)-2,6-Dimethyl-6-(6-deoxy-beta-D-glucopyranosyloxy)-2,7-octadienoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₆O₇

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canonical SMILES

O=C(O)C(=CCCC(OC1OC(C)C(O)C(O)C1O)(C=C)C)C

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isomeric SMILES

C=C[C@@](C)(CC/C=C(\C)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Elelea concinna

2 references

stated in

Acacia concinna Saponins. II. Structures of Monoterpenoid Glycosides in the Alkaline Hydrolysate of the Saponin Fraction.

stated in

Kinmoonosides A-C, three new cytotoxic saponins from the fruits of Acacia concinna, a medicinal plant collected in myanmar

Senegalia pennata

2 references

stated in

Kinmoonosides A-C, three new cytotoxic saponins from the fruits of Acacia concinna, a medicinal plant collected in myanmar

stated in

Acacia concinna Saponins. II. Structures of Monoterpenoid Glycosides in the Alkaline Hydrolysate of the Saponin Fraction.

Senegalia rugata

2 references

stated in

Kinmoonosides A-C, three new cytotoxic saponins from the fruits of Acacia concinna, a medicinal plant collected in myanmar

stated in

Acacia concinna Saponins. II. Structures of Monoterpenoid Glycosides in the Alkaline Hydrolysate of the Saponin Fraction.

Identifiers

InChI

InChI=1S/C16H26O7/c1-5-16(4,8-6-7-9(2)14(20)21)23-15-13(19)12(18)11(17)10(3)22-15/h5,7,10-13,15,17-19H,1,6,8H2,2-4H3,(H,20,21)/b9-7+/t10-,11-,12+,13-,15+,16+/m1/s1

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InChIKey

GGHLYRUPOWRANQ-MHKPXGSSSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

GGHLYRUPOWRANQ-MHKPXGSSSA-N

1 reference

(Q105008096)

(2E,6R)-2,6-Dimethyl-6-(6-deoxy-beta-D-glucopyranosyloxy)-2,7-octadienoic acid

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