Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

Capsicoside D

PropertiesImageOccurences in reactions
MNX_IDMNXM120174Image of MNXM120174
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC62H104O33
charge0
mass1376.64599
referencehmdb:HMDB0040871
InChIKeyLBLYBYTZXWQUGX-UHFFFAOYSA-N
InChIInChI=1S/C62H104O33/c1-22(20-83-54-46(78)41(73)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)43(75)51(35(19-67)89-56)92-59-53(52(40(72)33(17-65)88-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)44(76)50(34(18-66)90-58)91-57-47(79)42(74)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3
SMILESCC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0040871 Capsicoside D
2-{[6-({2-[(4,5-dihydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB40871 secondary/obsolete/fantasy identifier