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 C1[C@@H]([C@]([C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@@]1(CC2)O[C@@]2(C[C@H]1C)OC(=O)[C@@H](C2)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeScilla scilloides Ref.
--Chinodoxa luciliae Ref.
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