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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12O4
Molecular Weight 232.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALOESONE

SMILES

CC(=O)CC1=CC(=O)C2=C(O1)C=C(O)C=C2C

InChI

InChIKey=JHELBXAAAYUKCT-UHFFFAOYSA-N
InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H12O4
Molecular Weight 232.232
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
In silicio expression analysis of PKS genes isolated from Cannabis sativa L.
2010-10
Alkylresorcinol synthases expressed in Sorghum bicolor root hairs play an essential role in the biosynthesis of the allelopathic benzoquinone sorgoleone.
2010-03
Novel type III polyketide synthases from Aloe arborescens.
2009-04
Identification of candidate genes affecting Delta9-tetrahydrocannabinol biosynthesis in Cannabis sativa.
2009
The first plant type III polyketide synthase that catalyzes formation of aromatic heptaketide.
2004-03-26
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:04:46 GMT 2025
Edited
by admin
on Mon Mar 31 20:04:46 GMT 2025
Record UNII
5O7KO4M2YY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALOESONE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-HYDROXY-5-METHYL-2-(2-OXOPROPYL)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID20193721
Created by admin on Mon Mar 31 20:04:46 GMT 2025 , Edited by admin on Mon Mar 31 20:04:46 GMT 2025
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FDA UNII
5O7KO4M2YY
Created by admin on Mon Mar 31 20:04:46 GMT 2025 , Edited by admin on Mon Mar 31 20:04:46 GMT 2025
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PUBCHEM
5317700
Created by admin on Mon Mar 31 20:04:46 GMT 2025 , Edited by admin on Mon Mar 31 20:04:46 GMT 2025
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CAS
40738-40-7
Created by admin on Mon Mar 31 20:04:46 GMT 2025 , Edited by admin on Mon Mar 31 20:04:46 GMT 2025
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