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Diphylloside B

PropertiesImageOccurences in reactions
MNX_IDMNXM51195Image of MNXM51195
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC38H48O19
charge0
mass808.27898
referencechebi:168666
InChIKeyABEPLDYBWOKMCT-PUWSOPCHSA-N
InChIInChI=1S/C38H48O19/c1-13(2)5-10-18-20(53-37-31(50)28(47)25(44)21(12-39)54-37)11-19(41)22-26(45)34(32(55-33(18)22)16-6-8-17(40)9-7-16)56-38-35(29(48)24(43)15(4)52-38)57-36-30(49)27(46)23(42)14(3)51-36/h5-9,11,14-15,21,23-25,27-31,35-44,46-50H,10,12H2,1-4H3/t14?,15?,21?,23-,24-,25+,27?,28-,29?,30-,31?,35-,36-,37+,38-/m0/s1
SMILESCC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(-c3ccc(O)cc3)oc12
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:168666
chebi:168666
Diphylloside B
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
lipidmaps:LMPK12111720
lipidmapsM:LMPK12111720
Diphylloside B