input word = C00042939

Metabolite InformationStructural formula
Name Sarasinoside H2
(-)-Sarasinoside H2
Formula C63H102N2O28
Mw 1334.66191069
CAS RN 287977-01-9
C_ID C00042939 ,
InChIKey DOGGFOAHICNYOW-GIZZVSMENA-N
InChICode InChI=1S/C63H102N2O28/c1-25(2)17-29(71)18-26(3)31-19-32(83-10)40-30-11-12-38-60(6,7)39(13-14-62(38,9)63(30,82)16-15-61(31,40)8)91-59-53(47(76)37(24-85-59)90-55-41(64-27(4)69)48(77)43(72)33(20-66)86-55)92-56-42(65-28(5)70)49(78)46(75)36(89-56)23-84-58-54(51(80)45(74)35(22-68)88-58)93-57-52(81)50(79)44(73)34(21-67)87-57/h17,26,31-39,41-59,66-68,72-82H,11-16,18-24H2,1-10H3,(H,64,69)(H,65,70)/t26-,31-,32-,33-,34-,35-,36-,37+,38+,39+,41-,42-,43+,44-,45-,46-,47+,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,61-,62+,63-/m1/s1
SMILES C1[C@]2(C(=C3[C@](C1)([C@H](C[C@H]3OC)[C@@H](CC(=O)C=C(C)C)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Melophlus isis Ref.
--Melophlus sarassinorum Ref.
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