(Q105331803)

English

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S)-3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-{[3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

548.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₁

0 references

canonical SMILES

OC1=CC=C(C=C1)C2OC3=C(C(OC4OC(CO)C(O)C(O)C4O)=CC(OC)=C3C(OC)C2O)CC=C(C)C

0 references

isomeric SMILES

COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CC=C(C)C)c2c1[C@H](OC)[C@H](O)[C@@H](c1ccc(O)cc1)O2

0 references

found in taxon

Marshallia mohrii

1 reference

stated in

Prenyl flavanes from Marshallia species

Identifiers

InChI

InChI=1S/C28H36O11/c1-13(2)5-10-16-17(37-28-23(33)22(32)21(31)19(12-29)38-28)11-18(35-3)20-26(16)39-25(24(34)27(20)36-4)14-6-8-15(30)9-7-14/h5-9,11,19,21-25,27-34H,10,12H2,1-4H3/t19-,21-,22+,23-,24-,25-,27+,28-/m1/s1

0 references

InChIKey

XNNDZBMILDKUOB-DPKALAFNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNNDZBMILDKUOB-DPKALAFNSA-N

1 reference

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

retrieved

15 January 2022

InChIKey

XNNDZBMILDKUOB-DPKALAFNSA-N

(Q105331803)

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S)-3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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