(Q105021606)

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Melongoside G

group of stereoisomers with the chemical formula C₄₅H₇₄O₁₇

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instance of

group of stereoisomers

0 references

1 reference

886.492600908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₇₄O₁₇

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canonical SMILES

OCC1OC(OC2C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC(CO)C(O)C2OC9OC(C)C(O)C(O)C9O)C(O)C(O)C1O

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found in taxon

Solanum melongena

1 reference

stated in

Steroid glycosides of the seeds ofSolanum melongena. Structures of melongosides A, B, E, F, and H

Identifiers

InChI

InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3

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InChIKey

GVSGITAPQDRRJB-UHFFFAOYSA-N

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CAS Registry Number

94805-86-4

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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17 September 2022

inferred from InChIKey

ChEBI ID

192877

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-37(54)35(52)32(49)28(16-46)58-41)38(33(50)29(17-47)59-42)60-40-36(53)34(51)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3

1 reference

1 reference

matched by identifier from

InChIKey

GVSGITAPQDRRJB-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0040961

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GVSGITAPQDRRJB-UHFFFAOYSA-N

(Q105021606)

Melongoside G

Statements

Identifiers

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