pedunculagin
Chemical Formula:
C34H24O22
Molecular Weight:
784.55 Daltons
Monoisotopic Mass:
784.55 Daltons
InChI:
1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
InChIKey:
Databases
Seed:
cpd07125
MetaNetX:
MNXM73025
KEGG:
C10236
ChEBI:
7948
PubChem (CID):
442688
MetaCyc:
CPD-17772