(Q105379499)

English

Trigofoenoside B

group of stereoisomers with the chemical formula C₄₅H₇₆O₁₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

920.498080212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₇₆O₁₉

0 references

canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

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found in taxon

Trigonella foenum-graecum

1 reference

stated in

Two furostanol saponins from Trigonella foenum-graecum

Identifiers

InChI

InChI=1S/C45H76O19/c1-18(17-58-40-36(54)34(52)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-38(56)35(53)39(29(16-47)62-42)63-41-37(55)33(51)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3

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InChIKey

ZMKYPBQLTKXGFT-UHFFFAOYSA-N

0 references

CAS Registry Number

99753-11-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZMKYPBQLTKXGFT-UHFFFAOYSA-N

ChEBI ID

197025

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C45H76O19/c1-18(17-58-40-36(54)34(52)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-38(56)35(53)39(29(16-47)62-42)63-41-37(55)33(51)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3

1 reference

1 reference

matched by identifier from

InChIKey

ZMKYPBQLTKXGFT-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0039485

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZMKYPBQLTKXGFT-UHFFFAOYSA-N

KNApSAcK ID

C00058299

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZMKYPBQLTKXGFT-UHFFFAOYSA-N

(Q105379499)

Trigofoenoside B

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Identifiers

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