(Q104919555)

English

1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

group of stereoisomers with the chemical formula C₂₅H₂₆O₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

4-phenylcoumarin flavonoid

1 reference

inferred from

4-phenylcoumarin flavonoid

mass

422.17293855199983 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₆O₆

0 references

canonical SMILES

O=C1OC2=C(C(O)=C(C(=O)C(C)CC)C=3OC(CC23)C(O)(C)C)C(=C1)C=4C=CC=CC4

0 references

found in taxon

Mammea americana

2 references

stated in

Extractives of Mammea americana L. Part V. The insecticidal compounds

stated in

The neoflavonoids and 4-alkylcoumarins from mammea africana G. Don

Mammea africana

1 reference

stated in

Extractives of Mammea americana L. Part V. The insecticidal compounds

Calophyllum dispar

1 reference

stated in

Novel cytotoxic 4-phenylfuranocoumarins from Calophyllum dispar

Identifiers

InChI

InChI=1S/C25H26O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-10,12-13,17,28-29H,5,11H2,1-4H3

0 references

InChIKey

AVIZABGQXBMRCJ-UHFFFAOYSA-N

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CAS Registry Number

30390-13-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

AVIZABGQXBMRCJ-UHFFFAOYSA-N

ChEBI ID

175375

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H26O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-10,12-13,17,28-29H,5,11H2,1-4H3

1 reference

1 reference

matched by identifier from

InChIKey

AVIZABGQXBMRCJ-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0030713

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AVIZABGQXBMRCJ-UHFFFAOYSA-N

LIPID MAPS ID

LMPK12100014

1 reference

InChIKey

AVIZABGQXBMRCJ-UHFFFAOYSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q104919555)

1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

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