input word = C00033373

Metabolite InformationStructural formula
Name Scillascilloside G-1
Formula C70H114O37
Mw 1546.70389466
CAS RN 97400-16-3
C_ID C00033373 ,
InChIKey IYKNPXHRRABORG-ZNPGBIDKNA-N
InChICode InChI=1S/C70H114O37/c1-8-29(76)31-17-25(2)70(107-31)16-15-68(6)28-9-10-37-66(4,27(28)11-14-69(68,70)7)13-12-38(67(37,5)24-75)101-60-50(89)48(87)42(81)36(100-60)23-94-64-57(40(79)30(77)22-93-64)105-65-58(106-59-49(88)46(85)39(78)26(3)95-59)56(45(84)35(21-74)99-65)104-63-53(92)55(44(83)34(20-73)98-63)103-62-52(91)54(43(82)33(19-72)97-62)102-61-51(90)47(86)41(80)32(18-71)96-61/h25-26,30-65,71-75,77-92H,8-24H2,1-7H3/t25-,26+,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+,57+,58-,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69+,70+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1O[C@@H]1[C@@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]2[C@]([C@H]3[C@](CC2)(C2=C(CC3)[C@]3([C@](CC2)([C@]2(CC3)[C@@H](C[C@H](O2)C(=O)CC)C)C)C)C)(C)CO)O)O)O)OC[C@H]([C@@H]1O)O)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)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.
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OrganismScilla scilloides
ReferenceLee,Chem.Pharm.Bull.,50,(2002),1245