(Q105348469)

English

(2S,3R,4S,5S,6R)-2-[4-[(E)-3-[6-[(E)-but-1-enyl]-2,4-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-1-enyl]-2,6-dimethoxyphenoxy]-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-[4-[3-[6-But-1-enyl-2,4-dimethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-1-enyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

724.294235456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₆

0 references

canonical SMILES

OCC1OC(OC2=C(OC)C=C(C=CCC3=C(OC)C(OC4OC(CO)C(O)C(O)C4O)=C(OC)C=C3C=CCC)C=C2OC)C(O)C(O)C1O

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isomeric SMILES

CC/C=C/c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1C/C=C/c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1

0 references

found in taxon

Saussurea involucrata

1 reference

stated in

Chemical constituents from the cell cultures of Saussurea involucrata

Identifiers

InChI

InChI=1S/C35H48O16/c1-6-7-10-18-14-22(46-4)33(51-35-30(43)28(41)26(39)24(16-37)49-35)31(47-5)19(18)11-8-9-17-12-20(44-2)32(21(13-17)45-3)50-34-29(42)27(40)25(38)23(15-36)48-34/h7-10,12-14,23-30,34-43H,6,11,15-16H2,1-5H3/b9-8+,10-7+/t23-,24-,25-,26-,27+,28+,29-,30-,34+,35+/m1/s1

0 references

InChIKey

YHKZAFGPDMJPPP-OTJOWFOASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YHKZAFGPDMJPPP-OTJOWFOASA-N

(Q105348469)

(2S,3R,4S,5S,6R)-2-[4-[(E)-3-[6-[(E)-but-1-enyl]-2,4-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-1-enyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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