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

30-acetyltrichagmalin F

PropertiesImageOccurences in reactions
MNX_IDMNXM101885Image of MNXM101885
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC38H48O14
charge0
mass728.30441
referencechebi:68368
InChIKeyOVGFFHVYDYWTAL-GEQCYYDASA-N
InChIInChI=1S/C38H48O14/c1-10-18(2)29(41)52-31-35(7)17-37(45)36(8,22(35)15-23(40)47-9)21-11-13-34(6)25(24(21)28(38(31,37)46)49-19(3)39)26(50-32(43)33(4,5)44)30(42)51-27(34)20-12-14-48-16-20/h10,12,14,16,21-22,26-28,31,44-46H,11,13,15,17H2,1-9H3/b18-10+/t21-,22-,26+,27-,28-,31-,34+,35-,36+,37+,38+/m0/s1
SMILESC/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C[C@@]3(O)[C@](C)([C@H]4CC[C@]5(C)C(=C4[C@H](OC(C)=O)[C@@]13O)[C@@H](OC(=O)C(C)(C)O)C(=O)O[C@H]5c1ccoc1)[C@H]2CC(=O)OC
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:68368
chebi:68368 		30-acetyltrichagmalin F
(1R,4R,5S,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-5-(acetyloxy)-1-(furan-3-yl)-6,6a-dihydroxy-4-[(2-hydroxy-2-methylpropanoyl)oxy]-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate