Terminology Service for NFDI4Health
JSON

platensimycin B2

Go to external page http://purl.obolibrary.org/obo/CHEBI_68244

A polycyclic cage that is platensimycin with a 1,3-oxazinane ring fused onto the aromatic ring. It is isolated from Streptomyces platensis.

Term info

Label

platensimycin B2

Synonyms
  • 3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]-N-(7-hydroxy-2,4-dioxo-3,4-dihydro-2H-1,3-benzoxazin-8-yl)propanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]-N-(7-hydroxy-2,4-dioxo-3,4-dihydro-2H-1,3-benzoxazin-8-yl)propanamide [ IUPAC ]

charge

0

formula

C25H26N2O7

has obo namespace

chebi_ontology

id

CHEBI:68244

inchi

InChI=1S/C25H26N2O7/c1-23(16(29)5-8-25-10-12-9-15(20(23)25)34-24(12,2)11-25)7-6-17(30)26-18-14(28)4-3-13-19(18)33-22(32)27-21(13)31/h3-5,8,12,15,20,28H,6-7,9-11H2,1-2H3,(H,26,30)(H,27,31,32)/t12-,15+,20+,23-,24+,25+/m1/s1

inchikey

QPYJCWMWYJIYBV-YURBTCIXSA-N

mass

466.48310

monoisotopicmass

466.17400

smiles

[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc4c2oc(=O)[nH]c4=O)[C@]31[H]