input word = C00036212

Metabolite InformationStructural formula
Name Scillasaponin F
(-)-Scillasaponin F
Formula C63H100O31
Mw 1352.62485648
CAS RN 652153-82-7
C_ID C00036212 ,
InChIKey CVLDZANZZRYIAV-ZNCRKVNQNA-N
InChICode InChI=1S/C63H100O31/c1-24-16-62(93-51(24)80)17-25(2)63(94-62)15-14-60(6)28-8-9-34-58(4,27(28)10-13-61(60,63)7)12-11-35(59(34,5)23-66)88-53-46(79)43(76)40(73)33(87-53)22-83-55-48(37(70)29(67)20-81-55)91-57-50(92-52-45(78)42(75)36(69)26(3)84-52)47(41(74)32(19-65)86-57)89-56-49(38(71)30(68)21-82-56)90-54-44(77)39(72)31(18-64)85-54/h24-26,29-50,52-57,64-79H,8-23H2,1-7H3/t24-,25-,26+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50-,52+,53+,54+,55-,56+,57+,58-,59-,60+,61+,62+,63+/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)(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1OC[C@H]([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeMuscari paradoxum Ref.
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