(Q104945564)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

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canonical SMILES

OCCCC1=CC(OC)=C2OC(C=3C=CC(OC4OC(CO)C(O)C(O)C4O)C(OC)C3)C(C2=C1)CO

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isomeric SMILES

COc1cc(CCCO)cc2c1O[C@H](C1=C[C@@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1)[C@H]2CO

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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)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)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

BTFARVSAIRGHHU-KRNBOSFDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104945564)

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

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Identifiers

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