input word = C00033366

Metabolite InformationStructural formula
Name Scillanoside L1
Formula C58H94O28
Mw 1238.59316242
CAS RN 477219-01-5
C_ID C00033366 ,
InChIKey MYZRJFXVRIOKHL-HFOYFWDHNA-N
InChICode InChI=1S/C58H94O28/c1-7-27(63)29-16-23(2)58(86-29)15-14-55(5)26-8-9-33-54(4,25(26)10-13-56(55,58)6)12-11-34(57(33,21-61)22-62)82-50-44(74)42(72)38(68)32(81-50)20-77-52-47(36(66)28(64)19-76-52)84-53-48(85-49-43(73)40(70)35(65)24(3)78-49)46(39(69)31(18-60)80-53)83-51-45(75)41(71)37(67)30(17-59)79-51/h23-24,28-53,59-62,64-75H,7-22H2,1-6H3/t23-,24+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53+,54-,55+,56+,58+/m1/s1
SMILES CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)C(CO)(CO)[C@@H]2CC4)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeScilla scilloides Ref.
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