(Q115950901)

English

3-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dimethoxyphenyl]-5-hydroxy-7-methoxychromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[3-[6-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dimethoxyphenyl]-5-hydroxy-7-methoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

638.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₆

0 references

canonical SMILES

O=C1C(=COC2=CC(OC)=CC(O)=C12)C=3C=C(OC)C(OC)=C(OC4OC(COC5OC(CO)C(O)C5O)C(O)C(O)C4O)C3

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isomeric SMILES

COc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c3)coc2c1

0 references

found in taxon

Ceiba pentandra

1 reference

stated in

A new isoflavone glycoside from Ceiba pentandra (L.) Gaertner

Identifiers

InChI

InChI=1S/C29H34O16/c1-38-12-6-14(31)20-15(7-12)41-9-13(21(20)32)11-4-16(39-2)27(40-3)17(5-11)43-29-26(37)24(35)23(34)19(45-29)10-42-28-25(36)22(33)18(8-30)44-28/h4-7,9,18-19,22-26,28-31,33-37H,8,10H2,1-3H3/t18-,19-,22+,23-,24+,25+,26-,28-,29-/m1/s1

0 references

InChIKey

FNOYIEFVLBLBHC-JUUMVBFUSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

FNOYIEFVLBLBHC-JUUMVBFUSA-N

(Q115950901)

3-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dimethoxyphenyl]-5-hydroxy-7-methoxychromen-4-one

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