(Q104251333)

English

Hoduloside IX

group of stereoisomers with the chemical formula C₅₂H₈₆O₂₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

1,062.561074392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₂H₈₆O₂₂

0 references

canonical SMILES

O=C1CC2(COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(CCC5C6(C)CCC(OC7OCC(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C(C)(C)C6CCC52C)C1C(O)(C)CC=CC(O)(C)C

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isomeric SMILES

CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C(C(C)(O)C/C=C/C(C)(C)O)C(=O)CC45COC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C3(C)C)OCC(O)C2O)C(O)C(O)C1O

1 reference

1 reference

Plant-derived triterpenoid sweetness inhibitors.

Identifiers

InChI

InChI=1S/C52H86O22/c1-23-33(56)37(60)41(64)45(71-23)74-42-35(58)27(55)20-68-46(42)73-31-13-16-49(6)29(48(31,4)5)12-17-50(7)30(49)11-10-24-32(51(8,66)15-9-14-47(2,3)65)25(53)18-52(24,50)22-70-44-40(63)38(61)36(59)28(72-44)21-69-43-39(62)34(57)26(54)19-67-43/h9,14,23-24,26-46,54-66H,10-13,15-22H2,1-8H3/b14-9+

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InChIKey

APVZJAWOWWMSMG-NTEUORMPSA-N

0 references

2 references

26 December 2021

15 September 2022

1 reference

Human Metabolome Database ID

HMDB0040661

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

APVZJAWOWWMSMG-NTEUORMPSA-N

(Q104251333)

Hoduloside IX

Statements

Identifiers

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