(Q105168067)

English

timosaponin A3

group of stereoisomers with the chemical formula C₃₉H₆₄O₁₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

740.434692108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₄O₁₃

0 references

canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)CO)C(O)C(O)C1O

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found in taxon

Asparagus gobicus

1 reference

stated in

Nor-lignans and steroidal saponins from Asparagus gobicus

Yucca faxoniana

1 reference

stated in

A steroid glycoside from the seeds ofYucca macrocarpa

Yucca gloriosa

1 reference

stated in

Steroidal saponins from the stem of Yucca elephantipes

Identifiers

InChI

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3

0 references

InChIKey

MMTWXUQMLQGAPC-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMTWXUQMLQGAPC-UHFFFAOYSA-N

ChEBI ID

196996

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3

1 reference

Human Metabolome Database ID

HMDB0036248

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MMTWXUQMLQGAPC-UHFFFAOYSA-N

Probes And Drugs ID

PD056598

0 references

(Q105168067)

timosaponin A3

Statements

Identifiers

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