input word = C00045929

Metabolite InformationStructural formula
Name Eryloside J
(-)-Eryloside J
Formula C50H81NO16
Mw 951.55553555
CAS RN 350678-25-0
C_ID C00045929 ,
InChIKey ZZZXFLFNSDOOJJ-VDBSKYCUNA-N
InChICode InChI=1S/C50H81NO16/c1-24(11-12-25(2)46(4,5)6)27-16-20-50(45(60)61)29-13-14-33-47(7,8)34(17-18-48(33,9)28(29)15-19-49(27,50)10)65-44-41(67-42-35(51-26(3)53)38(58)37(57)32(21-52)64-42)40(31(55)23-63-44)66-43-39(59)36(56)30(54)22-62-43/h24,27,30-44,52,54-59H,2,11-23H2,1,3-10H3,(H,51,53)(H,60,61)/t24-,27-,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40+,41-,42+,43+,44+,48-,49-,50+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)C(C)(C)[C@@H]1CC3)C(C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Erylus nobilis Ref.
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