input word = C00003534

Metabolite InformationStructural formula
Name Musennin
Formula C51H82O21
Mw 1030.53485968
CAS RN 25480-74-4
C_ID C00003534 ,
InChIKey ZMEIKTTXONUYNX-RTDJOJQBNA-N
InChICode InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)/t23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,44-,48-,49+,50+,51+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia anthelmintica Ref.
PlantaeFabaceaeAlbizzia anthelmintica Ref.
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OrganismAlbizzia anthelmintica
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)