(Q105145920)

English

(1alpha,6alpha)-7alpha,8alpha,9beta-Trihydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]nonane-4-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

iridoid

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mass

218.079038168 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₄O₆

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canonical SMILES

O=C1OCC2C(C1)C(O)C(O)C2(O)CO

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isomeric SMILES

O=C1C[C@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@H]2CO1

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found in taxon

Crescentia alata

1 reference

stated in

Iridoids from Crescentia alata

Identifiers

InChI

InChI=1S/C9H14O6/c10-3-9(14)5-2-15-6(11)1-4(5)7(12)8(9)13/h4-5,7-8,10,12-14H,1-3H2/t4-,5+,7+,8+,9+/m1/s1

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InChIKey

KTPUPORHUXLBHU-KZGNQQLCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KTPUPORHUXLBHU-KZGNQQLCSA-N

1 reference

(Q105145920)

(1alpha,6alpha)-7alpha,8alpha,9beta-Trihydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]nonane-4-one

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Identifiers

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