input word = C00046896

Metabolite InformationStructural formula
Name Sarasinoside H1
Formula C62H100N2O28
Mw 1320.64626063
CAS RN 287977-00-8
C_ID C00046896 ,
InChIKey OEPGRJDXAHGOQQ-ZDYBIRRWNA-N
InChICode InChI=1S/C62H100N2O28/c1-24(2)16-28(70)17-25(3)30-18-31(71)39-29-10-11-37-59(6,7)38(12-13-61(37,9)62(29,82)15-14-60(30,39)8)90-58-52(46(76)36(23-84-58)89-54-40(63-26(4)68)47(77)42(72)32(19-65)85-54)91-55-41(64-27(5)69)48(78)45(75)35(88-55)22-83-57-53(50(80)44(74)34(21-67)87-57)92-56-51(81)49(79)43(73)33(20-66)86-56/h16,25,30-38,40-58,65-67,71-82H,10-15,17-23H2,1-9H3,(H,63,68)(H,64,69)/t25-,30-,31-,32-,33-,34-,35-,36-,37+,38+,40-,41-,42+,43-,44-,45-,46+,47-,48-,49+,50+,51-,52-,53-,54+,55+,56+,57-,58+,60-,61+,62-/m1/s1
SMILES [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1NC(=O)C)O[C@H]1[C@H](O)[C@H]([C@@H](OC1)O[C@H]1CC[C@]2([C@H](C1(C)C)CCC1=C3[C@](CC[C@]21O)([C@H](C[C@H]3O)[C@@H](CC(=O)C=C(C)C)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Melophlus isis Ref.
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