p-HBAD-II
Chemical Formula:
C30H46O15
Molecular Weight:
646.684 Daltons
Monoisotopic Mass:
646.2836708080999 Daltons
SMILES:
CC4(C(O)C(OC1(OC(C)C(OC)C(OC)C(OC)1))C(O)C(OC3(C(OC)C(OC2(C=CC(C(OC)=O)=CC=2))OC(C)C(O)3))O4)
InChI:
1S/C30H46O15/c1-13-18(31)22(44-30-26(38-7)24(36-5)21(35-4)15(3)42-30)20(33)28(40-13)45-23-19(32)14(2)41-29(25(23)37-6)43-17-11-9-16(10-12-17)27(34)39-8/h9-15,18-26,28-33H,1-8H3/t13-,14-,15-,18-,19-,20+,21+,22+,23+,24+,25+,26-,28-,29-,30-/m0/s1
InChIKey:
Synonyms
- O-methyl-4-O-[2,3,4-tri-O-methyl-α-L-fucopyranosyl-(1→3)-α-L-rhamnopyranosyl-(1→3)-2-O-methyl-α-L-rhamnopyranosyl]-hydroxybenzoate
- O-methyl-4-O-triglycosyl-hydroxybenzoate (ambiguous)
Databases
MetaCyc:
CPD-18619
PubChem (CID):
74538833
MetaNetX:
MNXM168767