(Q105185908)

English

Cyclopassifloside III

group of stereoisomers with the chemical formula C₄₃H₇₂O₁₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

24-methylcycloartane steroid

1 reference

inferred from

24-methylcycloartane steroid

mass

844.482036224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₇₂O₁₆

0 references

canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(CCC6(C)C5CCC23)C(C)CCC(O)(COC7OC(CO)C(O)C(O)C7O)C(C)C

0 references

found in taxon

tomato

1 reference

stated in

Metabolomics of Infected with Leads to Early Detection of Late Blight in Asymptomatic Plants

Identifiers

InChI

InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3

0 references

InChIKey

NUJWBDOJBSCJEG-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NUJWBDOJBSCJEG-UHFFFAOYSA-N

ChEBI ID

143053

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3

1 reference

Human Metabolome Database ID

HMDB0038390

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NUJWBDOJBSCJEG-UHFFFAOYSA-N

(Q105185908)

Cyclopassifloside III

Statements

Identifiers

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