(Q105377937)

English

(2R)-2-[4-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6C-substituted flavanone

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6C-prenylflavanone

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8C-prenylflavanone

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mass

602.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₁₂

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canonical SMILES

O=C1C2=C(O)C(=CC=C2OC(C3=CC=C(OC4OC(C)C(O)C(O)C4OC5OCC(O)C(O)C5O)C=C3)C1)CC=C(C)C

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isomeric SMILES

CC(C)=CCc1ccc2c(c1O)C(=O)C[C@H](c1ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)cc1)O2

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found in taxon

Gliricidia maculata

1 reference

stated in

New constituents from Gliricidia sepium

Identifiers

InChI

InChI=1S/C31H38O12/c1-14(2)4-5-17-8-11-21-23(25(17)35)19(32)12-22(42-21)16-6-9-18(10-7-16)41-31-29(27(37)24(34)15(3)40-31)43-30-28(38)26(36)20(33)13-39-30/h4,6-11,15,20,22,24,26-31,33-38H,5,12-13H2,1-3H3/t15-,20-,22+,24-,26+,27+,28+,29-,30+,31-/m0/s1

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InChIKey

ZJJKXIQHONOIPV-CQJSZARUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZJJKXIQHONOIPV-CQJSZARUSA-N

(Q105377937)

(2R)-2-[4-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Statements

Identifiers

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