input word = C00042943

Metabolite InformationStructural formula
Name Sarasinoside K
Formula C63H104N2O29
Mw 1352.67247538
CAS RN 865369-06-8
C_ID C00042943 ,
InChIKey UZLIYRCXGSJQQK-IVRWOMFWNA-N
InChICode InChI=1S/C63H104N2O29/c1-25(17-28(71)19-59(4,5)82)30-18-31(84-10)39-29-11-12-37-60(6,7)38(13-14-62(37,9)63(29,83)16-15-61(30,39)8)92-58-52(46(76)36(24-86-58)91-54-40(64-26(2)69)47(77)42(72)32(20-66)87-54)93-55-41(65-27(3)70)48(78)45(75)35(90-55)23-85-57-53(50(80)44(74)34(22-68)89-57)94-56-51(81)49(79)43(73)33(21-67)88-56/h25,30-38,40-58,66-68,72-83H,11-24H2,1-10H3,(H,64,69)(H,65,70)/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+,61-,62+,63-/m1/s1
SMILES C1[C@]2(C(=C3[C@](C1)([C@H](C[C@H]3OC)[C@@H](CC(=O)CC(C)(C)O)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 sarassinorum Ref.
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