(Q105349512)

English

(1R,4S,6S,7S,11S)-7-hydroxy-6-methyl-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

iridoid

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mass

376.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₄O₁₀

0 references

canonical SMILES

O=C1OC2CC(C)C3(O)COCC1(OC4OC(CO)C(O)C(O)C4O)C23

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isomeric SMILES

C[C@H]1C[C@@H]2OC(=O)[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)COC[C@@]1(O)[C@H]23

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found in taxon

Gelsemium sempervirens

1 reference

stated in

9-hydroxy substituted iridoids from Gelsemium sempervirens

Verbena brasiliensis

1 reference

stated in

New iridoid glucosides from the aerial parts of Verbena brasiliensis

Identifiers

InChI

InChI=1S/C16H24O10/c1-6-2-7-12-15(6,22)4-23-5-16(12,14(21)25-7)26-13-11(20)10(19)9(18)8(3-17)24-13/h6-13,17-20,22H,2-5H2,1H3/t6-,7-,8+,9+,10+,11-,12-,13-,15-,16-/m0/s1

0 references

InChIKey

YJWIJCDOMFPRSQ-RFFWAFGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJWIJCDOMFPRSQ-RFFWAFGESA-N

(Q105349512)

(1R,4S,6S,7S,11S)-7-hydroxy-6-methyl-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one

Statements

Identifiers

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