(Q105200844)

English

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] benzoate

group of stereoisomers with the chemical formula C₃₁H₃₈O₁₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

586.241412036 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₁₁

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canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O)C2(C(=O)C(OC(=O)C)C4=C(C)C(O)CC1(O)C4(C)C)C)C=5C=CC=CC5

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found in taxon

Taxus brevifolia

4 references

stated in

Eight cases of fatal and non-fatal poisoning with Taxus baccata.

stated in

Taxanes from rooted cuttings of Taxus canadensis

stated in

Production of taxoids with biological activity by plants and callus culture from selected Taxus genotypes

stated in

Taxoids from Cell Cultures of Taxus Chinensis

Taxus cuspidata

4 references

stated in

Eight cases of fatal and non-fatal poisoning with Taxus baccata.

stated in

Taxanes from rooted cuttings of Taxus canadensis

stated in

Production of taxoids with biological activity by plants and callus culture from selected Taxus genotypes

stated in

Taxoids from Cell Cultures of Taxus Chinensis

Taxus wallichiana

4 references

stated in

Eight cases of fatal and non-fatal poisoning with Taxus baccata.

stated in

Taxanes from rooted cuttings of Taxus canadensis

stated in

Production of taxoids with biological activity by plants and callus culture from selected Taxus genotypes

stated in

Taxoids from Cell Cultures of Taxus Chinensis

Taxus canadensis

3 references

stated in

Eight cases of fatal and non-fatal poisoning with Taxus baccata.

stated in

Taxoids from Cell Cultures of Taxus Chinensis

stated in

Production of taxoids with biological activity by plants and callus culture from selected Taxus genotypes

Identifiers

InChI

InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3

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InChIKey

OVMSOCFBDVBLFW-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OVMSOCFBDVBLFW-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0248838

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OVMSOCFBDVBLFW-UHFFFAOYSA-N

Probes And Drugs ID

PD045404

0 references

(Q105200844)

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] benzoate

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Identifiers

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