(Q105221494)

English

(2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

462.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₁₂

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canonical SMILES

OC1=CC=C(C=C1O)CCOC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Firmiana simplex

1 reference

stated in

Isoprenylated naphthoquinone dimers firmianones A, B, and C from Firmiana platanifolia

Forsythia suspensa

2 references

stated in

Structures of rengyol, rengyoxide, and rengyolone, new cyclohexylethane derivatives from Forsythiasuspensa fruits

stated in

Structures of rengyol, rengyoxide, and rengyolone, new cyclohexylethane derivatives from Forsythiasuspensa fruits

Identifiers

InChI

InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)20(31-8)30-7-12-14(24)16(26)18(28)19(32-12)29-5-4-9-2-3-10(21)11(22)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m0/s1

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InChIKey

QIMGUQIHCNDUKU-OJJLXHDHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIMGUQIHCNDUKU-OJJLXHDHSA-N

ChEBI ID

228871

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)20(31-8)30-7-12-14(24)16(26)18(28)19(32-12)29-5-4-9-2-3-10(21)11(22)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12+,13-,14+,15+,16-,17+,18+,19+,20+/m0/s1

1 reference

0 references

(Q105221494)

(2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

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Identifiers

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