input word = C00030566

Metabolite InformationStructural formula
Name Junceol D
Formula C35H50O13
Mw 678.32514168
CAS RN 1092697-26-1
C_ID C00030566 ,
InChIKey BBSAIKIEESIWEO-XNVZJMNANA-N
InChICode InChI=1S/C35H50O13/c1-12-17(4)32(40)46-24-15-26(47-31(39)16(2)3)34(11)28(19(6)13-25(43-21(8)36)29(34)44-22(9)37)30(45-23(10)38)35(42)20(7)33(41)48-27(35)14-18(24)5/h14,16-17,20,24-30,42H,6,12-13,15H2,1-5,7-11H3/b18-14-/t17-,20+,24-,25+,26+,27+,28-,29+,30+,34-,35+/m1/s1
SMILES C\1=C(\[C@@H](C[C@@H]([C@@]2([C@@H]([C@@H]([C@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)C(=C)C[C@@H]([C@@H]2OC(=O)C)OC(=O)C)C)OC(=O)C(C)C)OC(=O)[C@H](C)CC)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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