(Q104956154)

English

Melongoside P

group of stereoisomers with the chemical formula C₅₁H₈₆O₂₃

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instance of

group of stereoisomers

0 references

1 reference

1,066.555989012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₆O₂₃

0 references

canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C7OC9OC(CO)C(O)C(O)C9O)CCC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

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found in taxon

Solanum melongena

1 reference

stated in

Melongosides n, o and p: steroidal saponins from seeds of solanum melongena

Identifiers

InChI

InChI=1S/C51H86O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-42(64)39(61)35(57)30(17-53)70-47)43(36(58)31(18-54)71-48)72-46-41(63)37(59)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3

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InChIKey

CEWQEUNTBORADC-UHFFFAOYSA-N

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CAS Registry Number

98508-45-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

3 references

26 December 2021

15 September 2022

matched by identifier from

InChIKey

CEWQEUNTBORADC-UHFFFAOYSA-N

ChEBI ID

230099

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C51H86O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-42(64)39(61)35(57)30(17-53)70-47)43(36(58)31(18-54)71-48)72-46-41(63)37(59)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3

1 reference

1 reference

matched by identifier from

InChIKey

CEWQEUNTBORADC-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0030050

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CEWQEUNTBORADC-UHFFFAOYSA-N

(Q104956154)

Melongoside P

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