input word = C00045347

Metabolite InformationStructural formula
Name Milolide J
(+)-Milolide J
Formula C29H40O14
Mw 612.24180599
CAS RN 438552-13-7
C_ID C00045347 ,
InChIKey KWLNKPHVFOFLTM-SCXMGMAJNA-N
InChICode InChI=1S/C29H40O14/c1-12-19(34)10-21(40-15(4)31)28(7)22(41-16(5)32)11-20(39-14(3)30)18(27(36)38-8)9-23-29(37,13(2)26(35)43-23)25(24(12)28)42-17(6)33/h9,12-13,19-25,34,37H,10-11H2,1-8H3/b18-9+/t12-,13-,19-,20+,21-,22-,23-,24+,25+,28+,29+/m0/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@H]([C@H](C[C@@H]2OC(=O)C)O)C)C)OC(=O)C)OC(=O)C)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum stechei Ref.
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