input word = C00039784

Metabolite InformationStructural formula
Name Momordin IId
Formula C52H82O22
Mw 1058.52977431
CAS RN 119617-28-6
C_ID C00039784 ,
InChIKey JGWOUOSRJOOXAL-UHFFFAOYNA-N
InChICode InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)32(58)26(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-40(73-43-35(61)31(57)25(55)21-68-43)38(37(63)39(72-45)41(64)65)71-42-34(60)30(56)24(54)20-67-42/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)/t23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,42-,43+,44-,45-,49-,50-,51-,52+/m0/s1
SMILES C1(CC[C@@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)C(=O)O)C)C)C(=O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica cochinchinensis Ref.
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