(Q105026467)

English

(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-[(3R,4R)-4-hydroxy-3-methoxycyclohexa-1,5-dien-1-yl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[2-(4-Hydroxy-3-methoxycyclohexa-1,5-dien-1-yl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

524.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₁

0 references

canonical SMILES

OCCCC1=CC(OC)=C2OC(C=3C=CC(O)C(OC)C3)C(C2=C1)COC4OC(CO)C(O)C(O)C4O

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isomeric SMILES

COc1cc(CCCO)cc2c1O[C@H](C1=C[C@@H](OC)[C@H](O)C=C1)[C@H]2CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Taraxacum rubicundum

1 reference

stated in

Sesquiterpenoids and phenolics from Taraxacum hondoense.

Identifiers

InChI

InChI=1S/C26H36O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16-18,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,17+,18+,20+,21+,22-,23+,24+,26+/m0/s1

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InChIKey

HDOOJQQREVNVBO-KRNBOSFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HDOOJQQREVNVBO-KRNBOSFDSA-N

(Q105026467)

(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-[(3R,4R)-4-hydroxy-3-methoxycyclohexa-1,5-dien-1-yl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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