(Q105213288)

English

Mammea B/AB

group of stereoisomers with the chemical formula C₂₂H₂₈O₅

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Statements

group of stereoisomers

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biogenic coumarin

1 reference

biogenic coumarin

372.19367399599986 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₅

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canonical SMILES

O=C1OC2=C(C(O)=C(C(O)=C2CC=C(C)C)C(=O)C(C)CC)C(=C1)CCC

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Identifiers

InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3

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PQMOXTJVIYEOQL-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PQMOXTJVIYEOQL-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID301118112

1 reference

matched by identifier from

PQMOXTJVIYEOQL-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PQMOXTJVIYEOQL-UHFFFAOYSA-N

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