β-peltatin
Chemical Formula:
C22H22O8
Molecular Weight:
414.411 Daltons
Monoisotopic Mass:
414.131467683 Daltons
SMILES:
COC1(C=C(C=C(OC)C=1OC)C2([CH]5(C(=O)OC[CH](CC3(C(O)=C4(OCOC(=CC2=3)4)))5)))
InChI:
1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-8960
PubChem (CID):
92122
MetaboLights:
MTBLC74867
ChEBI:
74867
ChemSpider:
83168
KEGG:
C10729
Seed:
cpd25513
MetaNetX:
MNXM13300