Basic information
- CAS
1403-56-1- Standard SMILES
O=Cc1c(CO)cc(O)c(O)c1O- InChIKey
MGMUFSXXHCQPGA-UHFFFAOYSA-N- Molecular formula
- C8H8O5
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.03717335
Overview
metabolite of basidiomycete Fomes juniperinus; structure given in first source
Names & identifiers
- Preferred name
- Fomecin A
- IUPAC
- 2,3,4-trihydroxy-6-(hydroxymethyl)benzaldehyde
- English name
- fomecin A
- Molecular formula
- C8H8O5
- Molecular weight
- 184.15
Names & synonyms
Fomecin A2,3,4-Trihydroxy-6-(hydroxymethyl)benzaldehyde1403-56-11E2L0W6KK8Benzaldehyde, 2,3,4-trihydroxy-6-(hydroxymethyl)-NSC-73231DTXSID60161303RefChem:141125DTXCID1083794FomecinFOMECIN-ANSC 73231
Show more names
6-Hydroxymethyl-2,3,4-trihydroxybenzaldehyde
BRN 2693556UNII-1E2L0W6KK84-08-00-03351 (Beilstein Handbook Reference)orb3024607SCHEMBL1527103NSC73231HY-N14393AKOS006279874
Database identifiers
- CAS
1403-56-1- PubChem CID
- 14964
- DTXSID
DTXSID60161303- UNII
- 1E2L0W6KK8
- Nikkaji
- J69.735D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 1 E2L0W6KK8 · 1E2L0W6KK8
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…