malonylshisonin
Chemical Formula:
C39H37O21
Molecular Weight:
841.709 Daltons
Monoisotopic Mass:
843.198383316 Daltons
SMILES:
C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(=CC(=C(C=C3)O)O))=4)[O-])OC5(C(C(C(C(O5)COC(CC(=O)[O-])=O)O)O)O)))))OC(C=CC6(C=CC(=CC=6)O))=O
InChI:
1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p-1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7708
PubChem (CID):
90657833
KEGG:
C16299
Seed:
cpd15015
MetaNetX:
MNXM8856
ChEBI:
80435