protoasukamycin
Chemical Formula:
C31H34N2O5
Molecular Weight:
514.62 Daltons
Monoisotopic Mass:
514.2467722123 Daltons
SMILES:
C(=O)(NC1(C(=O)CCC(O)=1))C=CC=CC=CC3(=CC(NC(=O)C=CC=CC=CC2(CCCCC2))=C(O)C=C3)
InChI:
1S/C31H34N2O5/c34-26-19-18-24(15-7-2-4-11-17-30(38)33-31-27(35)20-21-28(31)36)22-25(26)32-29(37)16-10-3-1-6-12-23-13-8-5-9-14-23/h1-4,6-7,10-12,15-19,22-23,34-35H,5,8-9,13-14,20-21H2,(H,32,37)(H,33,38)/b3-1+,4-2+,12-6+,15-7+,16-10+,17-11+
InChIKey:
Databases
MetaCyc:
CPD-18765
ChEBI:
90901
KEGG:
C21145
PubChem (CID):
118796884
MetaNetX:
MNXM162864