input word = C00033367

Metabolite InformationStructural formula
Name Scillanoside L2
Formula C59H94O28
Mw 1250.59316242
CAS RN 477219-02-6
C_ID C00033367 ,
InChIKey CMHXUBSOBRQNSP-FCMXZAMONA-N
InChICode InChI=1S/C59H94O28/c1-23-16-58(86-48(23)75)17-24(2)59(87-58)15-14-56(6)27-8-9-32-54(4,26(27)10-13-57(56,59)7)12-11-33(55(32,5)22-62)82-50-43(73)41(71)37(67)31(81-50)21-77-52-46(35(65)28(63)20-76-52)84-53-47(85-49-42(72)39(69)34(64)25(3)78-49)45(38(68)30(19-61)80-53)83-51-44(74)40(70)36(66)29(18-60)79-51/h23-25,28-47,49-53,60-74H,8-22H2,1-7H3/t23-,24-,25+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47-,49+,50+,51+,52?,53+,54-,55+,56+,57+,58+,59+/m1/s1
SMILES C[C@@H]1C[C@]2(C[C@@H](C)[C@]3(CC[C@@]4(C)C5=C(CC[C@@]43C)[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(CO)[C@@H]3CC5)O2)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeScilla scilloides Ref.
--Chinodoxa luciliae Ref.
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