(Q105249370)

English

(2S)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavanone

0 references

7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one

1 reference

based on heuristic

inferred from SMILES

mass

608.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-7-[(2S,3S,4S,5S,6R)-6-[[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-7-[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₁₄

0 references

canonical SMILES

O=C1C=2C(O)=C(C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)=C(C2OC(C5=CC=C(OC)C=C5)C1)C)C

0 references

isomeric SMILES

COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(C)c3O2)cc1

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found in taxon

Rhododendron simsii

1 reference

stated in

Triterpene and flavanone glycoside from Rhododendron simsii

Identifiers

InChI

InChI=1S/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18+,21+,22-,23+,26-,27-,28+,29+/m0/s1

0 references

InChIKey

SBEVOVWWSQLCJK-JOFSYXLSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBEVOVWWSQLCJK-JOFSYXLSSA-N

1 reference

NMRShiftDB structure ID

7905

1 reference

matched by identifier from

InChIKey

SBEVOVWWSQLCJK-JOFSYXLSSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

SBEVOVWWSQLCJK-JOFSYXLSSA-N

(Q105249370)

(2S)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one

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