Terminology Service for NFDI4Health
JSON

platencin A2

Go to external page http://purl.obolibrary.org/obo/CHEBI_68251

A polycyclic cage that is the 3-hydroxy derivative of platencin. It is isolated from Streptomyces platensis.

Term info

Label

platencin A2

Synonyms
  • 2,4-dihydroxy-3-({3-[(2S,3S,4aR,8S,8aR)-3-hydroxy-8-methyl-10-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2,4-dihydroxy-3-({3-[(2S,3S,4aR,8S,8aR)-3-hydroxy-8-methyl-10-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid [ IUPAC ]

charge

0

formula

C24H27NO7

has obo namespace

chebi_ontology

id

CHEBI:68251

inchi

InChI=1S/C24H27NO7/c1-12-10-24-8-5-18(28)23(2,17(24)9-14(12)16(27)11-24)7-6-19(29)25-20-15(26)4-3-13(21(20)30)22(31)32/h3-5,8,14,16-17,26-27,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t14-,16-,17-,23-,24+/m0/s1

inchikey

VABLHCSPDCPVNA-WXPHICKRSA-N

mass

441.47370

monoisotopicmass

441.17875

smiles

[H][C@@]12C[C@@]3([H])[C@](C)(CCC(=O)Nc4c(O)ccc(C(O)=O)c4O)C(=O)C=C[C@]3(C[C@@H]1O)CC2=C