(Q104920417)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3S,5S,6E,10R)-3,10,11-trihydroxy-3,7,11-trimethyldodeca-1,6-dien-5-yl]oxyoxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(Hydroxymethyl)-6-(3,10,11-trihydroxy-3,7,11-trimethyldodeca-1,6-dien-5-yl)oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

434.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₈O₉

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canonical SMILES

OCC1OC(OC(C=C(C)CCC(O)C(O)(C)C)CC(O)(C=C)C)C(O)C(O)C1O

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isomeric SMILES

C=C[C@@](C)(O)C[C@@H](/C=C(\C)CC[C@@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Saussurea triangulata

1 reference

stated in

A new sesquiterpene glycoside from the aerial parts of Saussurea triangulata

Identifiers

InChI

InChI=1S/C21H38O9/c1-6-21(5,28)10-13(9-12(2)7-8-15(23)20(3,4)27)29-19-18(26)17(25)16(24)14(11-22)30-19/h6,9,13-19,22-28H,1,7-8,10-11H2,2-5H3/b12-9+/t13-,14-,15-,16-,17+,18-,19-,21-/m1/s1

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InChIKey

AXBUFJCSFBHIIY-PYIBUYJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXBUFJCSFBHIIY-PYIBUYJLSA-N

(Q104920417)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3S,5S,6E,10R)-3,10,11-trihydroxy-3,7,11-trimethyldodeca-1,6-dien-5-yl]oxyoxane-3,4,5-triol

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Identifiers

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