(Q105381490)

English

(2S,3S,4R,5R,6S)-2-[2-[(2S,3S,3aS,5S,8S,8aR)-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside

1 reference

based on heuristic

inferred from SMILES

mass

450.246497416 dalton

1 reference

1 reference

C₂₁H₃₈O₁₀

0 references

canonical SMILES

OCC1OC(OC(C)(C)C2CCC(O)(CO)C3CC(O)C(O)(C)C3C2)C(O)C(O)C1O

0 references

isomeric SMILES

CC(C)(O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC[C@@](O)(CO)[C@@H]2C[C@H](O)[C@@](C)(O)[C@H]2C1

0 references

found in taxon

Atractylodes lancea

2 references

stated in

Glycosides of Atractylodes ovata

stated in

Glycosides of Atractylodes lancea

Identifiers

InChI

InChI=1S/C21H38O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-18,22-29H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15-,16+,17-,18-,20-,21+/m0/s1

0 references

InChIKey

ZQIOVWYOYSNXID-YNWCMVCZSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ZQIOVWYOYSNXID-YNWCMVCZSA-N

(Q105381490)

(2S,3S,4R,5R,6S)-2-[2-[(2S,3S,3aS,5S,8S,8aR)-2,3,8-trihydroxy-8-(hydroxymethyl)-3-methyl-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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