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 CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)C6O[C@@H]6OC[C@H](O)[C@H](O)C6O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)C6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia anthelmintica Ref.
PlantaeFabaceaeAlbizzia anthelmintica Ref.
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