(Q105276769)

English

2-[[8a-Methyl-4-methylidene-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₂₇H₄₆O₁₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

562.298926912 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆O₁₂

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canonical SMILES

OCC1OC(OC2CC(=C)C3CC(CCC3(C)C2)C(OC4OC(CO)C(O)C(O)C4O)(C)C)C(O)C(O)C1O

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found in taxon

Atractylodes lancea

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stated in

Glycosides of Atractylodes lancea

Identifiers

InChI

InChI=1S/C27H46O12/c1-12-7-14(36-24-22(34)20(32)18(30)16(10-28)37-24)9-27(4)6-5-13(8-15(12)27)26(2,3)39-25-23(35)21(33)19(31)17(11-29)38-25/h13-25,28-35H,1,5-11H2,2-4H3

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InChIKey

UPFPPGMSXLZFBF-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105276769)

2-[[8a-Methyl-4-methylidene-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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