(Q105329328)

English

[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

1 reference

1 reference

614.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₄O₁₃

0 references

canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O)C5=CCC(CC5)C(O)(C)C

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isomeric SMILES

CC(C)(O)[C@H]1CC=C(C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@@H](O)[C@H](O)[C@@H]2O)CC1

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found in taxon

Eucalyptus cypellocarpa

1 reference

stated in

Cypellogins A, B and C, acylated flavonol glycosides from Eucalyptus cypellocarpa

Eucalyptus resinifera

1 reference

stated in

Non-volatile components of the essential oil secretory cavities of Eucalyptus leaves: discovery of two glucose monoterpene esters, cuniloside B and froggattiside A.

Identifiers

InChI

InChI=1S/C31H34O13/c1-31(2,40)16-7-3-15(4-8-16)29(39)41-13-21-23(35)25(37)26(38)30(43-21)44-28-24(36)22-19(34)11-18(33)12-20(22)42-27(28)14-5-9-17(32)10-6-14/h3,5-6,9-12,16,21,23,25-26,30,32-35,37-38,40H,4,7-8,13H2,1-2H3/t16-,21+,23+,25+,26-,30-/m0/s1

0 references

InChIKey

XJYKKSWBSUUWAV-DQKUAYAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJYKKSWBSUUWAV-DQKUAYAGSA-N

1 reference

(Q105329328)

[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

Statements

Identifiers

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