input word = C00039160

Metabolite InformationStructural formula
Name Eryloside Q
(-)-Eryloside Q
Formula C63H102O30
Mw 1338.64559192
CAS RN 928849-52-9
C_ID C00039160 ,
InChIKey VMHLILHZWLUYIV-OEFHHTHENA-N
InChICode InChI=1S/C63H102O30/c1-25(2)9-8-10-26(3)27-14-18-63(59(80)81)29-11-12-36-60(4,5)37(15-16-61(36,6)28(29)13-17-62(27,63)7)89-57-52(93-56-47(78)42(73)39(70)32(19-64)85-56)49(31(68)23-83-57)90-54-46(77)41(72)35(24-84-54)88-55-48(79)44(75)50(34(21-66)87-55)91-58-51(43(74)40(71)33(20-65)86-58)92-53-45(76)38(69)30(67)22-82-53/h9,26-27,30-58,64-79H,8,10-24H2,1-7H3,(H,80,81)/t26-,27-,30-,31+,32-,33-,34-,35+,36-,37+,38+,39-,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@@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(=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[C@H]1[C@@H]([C@H]([C@H](CO1)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Erylus formosus Ref.
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