input word = C00042945

Metabolite InformationStructural formula
Name Sarasinoside M
(-)-Sarasinoside M
Formula C62H98N2O27
Mw 1302.63569594
CAS RN 865369-24-0
C_ID C00042945 ,
InChIKey HEBYLNTXABRQBS-LCIVNCEBNA-N
InChICode InChI=1S/C62H98N2O27/c1-25(2)18-29(70)19-26(3)30-10-11-31-32-12-13-38-60(6,7)39(14-17-62(38,9)40(83-32)15-16-61(30,31)8)89-59-53(47(75)37(24-82-59)88-55-41(63-27(4)68)48(76)43(71)33(20-65)84-55)90-56-42(64-28(5)69)49(77)46(74)36(87-56)23-81-58-54(51(79)45(73)35(22-67)86-58)91-57-52(80)50(78)44(72)34(21-66)85-57/h15,18,26,30,33-39,41-59,65-67,71-80H,10-14,16-17,19-24H2,1-9H3,(H,63,68)(H,64,69)/t26-,30-,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+/m1/s1
SMILES CC(=O)N[C@H]1[C@H](OC2CO[C@@H](O[C@H]3CC[C@]4(C)C5=CC[C@@]6(C)C(=C(CC[C@H]4C3(C)C)O5)CC[C@@H]6[C@H](C)CC(=O)C=C(C)C)[C@H](O[C@@H]3O[C@H](COC4O[C@H](CO)[C@@H](O)[C@H](O)C4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Melophlus sarassinorum Ref.
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