input word = C00031735

Metabolite InformationStructural formula
Name Dianoside G
Formula C48H76O20
Mw 972.49299487
CAS RN 96333-09-4
C_ID C00031735 ,
InChIKey IEJFXRHTMBOACN-JNNTWNPANA-N
InChICode InChI=1S/C48H76O20/c1-43(2)13-15-48(16-14-45(4)21(22(48)17-43)7-8-26-44(3)11-10-28(51)47(6,41(60)61)27(44)9-12-46(26,45)5)42(62)68-40-36(59)37(67-39-35(58)33(56)30(53)24(19-50)65-39)31(54)25(66-40)20-63-38-34(57)32(55)29(52)23(18-49)64-38/h7,22-40,49-59H,8-20H2,1-6H3,(H,60,61)/t22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,44+,45+,46+,47-,48-/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C(=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus var.longicalycinus (MAXIM.) WILL Ref.
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OrganismDianthus superbus var.longicalycinus (MAXIM.) WILL
ReferenceHsieh,Chem.Pharm.Bull.,53,(2005),336