(Q105292433)

English

esculeoside A

group of stereoisomers with the chemical formula C₅₈H₉₅NO₂₉

In more languages

Statements

group of stereoisomers

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spirosolane alkaloid

1 reference

spirosolane alkaloid

1,269.59897602 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₈H₉₅NO₂₉

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canonical SMILES

CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC11C(CC(CN1)COC1C(C(C(C(O1)CO)O)O)O)OC(=O)C

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2 references

Steroidal glycosides from the underground parts of Solanum sodomaeum

New solanocapsine-type tomato glycoside from ripe fruit of Solanum lycopersicum

1 reference

Steroidal glycosides from the underground parts of Solanum sodomaeum

Identifiers

InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-45(74)41(70)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-47(76)43(72)48(34(18-63)84-53)85-55-50(87-54-46(75)42(71)39(68)32(16-61)82-54)49(40(69)33(17-62)83-55)86-52-44(73)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3

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VSQBWNYALURFOT-UHFFFAOYSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

VSQBWNYALURFOT-UHFFFAOYSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VSQBWNYALURFOT-UHFFFAOYSA-N

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