(Q104952115)

English

3,3,11-trimethyl-9,10-dioxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-7-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

cadinane sesquiterpenoid

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mass

450.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C(O)C=1C(OC2OC(CO)C(O)C(O)C2O)=CC3=C4C(OC3(C)C)=C(C(=O)C(=O)C14)C

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isomeric SMILES

CC1=C2OC(C)(C)c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(C(=O)O)c(c32)C(=O)C1=O

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found in taxon

Bombax malabaricum

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stated in

Sesquiterpenoids from Bombax malabaricum

Bombax ceiba

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stated in

Sesquiterpenoids from Bombax malabaricum

Identifiers

InChI

InChI=1S/C21H22O11/c1-6-13(23)15(25)12-10-7(21(2,3)32-18(6)10)4-8(11(12)19(28)29)30-20-17(27)16(26)14(24)9(5-22)31-20/h4,9,14,16-17,20,22,24,26-27H,5H2,1-3H3,(H,28,29)/t9-,14-,16+,17-,20-/m1/s1

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InChIKey

CAZMOEBMJUTRMK-VVHLPZDHSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CAZMOEBMJUTRMK-VVHLPZDHSA-N

1 reference

(Q104952115)

3,3,11-trimethyl-9,10-dioxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-7-carboxylic acid

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Identifiers

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