input word = C00039148

Metabolite InformationStructural formula
Name Eryloside F1
(-)-Eryloside F1
Formula C42H68O12
Mw 764.47107764
CAS RN 928849-30-3
C_ID C00039148 ,
InChIKey SXNHMSNSEXAENW-NAGXDCJHNA-N
InChICode InChI=1S/C42H68O12/c1-21(2)22(3)9-10-23(4)24-14-18-42(38(49)50)26-11-12-29-39(5,6)30(15-16-40(29,7)25(26)13-17-41(24,42)8)53-37-35(31(45)27(44)20-51-37)54-36-34(48)33(47)32(46)28(19-43)52-36/h21,23-24,27-37,43-48H,3,9-20H2,1-2,4-8H3,(H,49,50)/t23-,24-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,40-,41-,42+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CCC(=C)C(C)C)C)C)C(=O)O)C)(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)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Erylus formosus Ref.
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