input word = C00044232

Metabolite InformationStructural formula
Name Mellerin B
(+)-Mellerin B
Formula C28H40O8
Mw 504.27231825
CAS RN 213037-35-5
C_ID C00044232 ,
InChIKey SOEXSJJGQLMGGU-RJEIVYSZNA-N
InChICode InChI=1S/C28H40O8/c1-6-7-8-9-10-11-26-34-21-19-22-25(14-29,33-22)23(31)27(32)18(12-16(4)20(27)30)28(19,36-26)17(5)13-24(21,35-26)15(2)3/h12,17-19,21-23,29,31-32H,2,6-11,13-14H2,1,3-5H3/t17-,18-,19+,21-,22+,23-,24-,25+,26-,27-,28+/m1/s1
SMILES C1(=C[C@@H]2[C@@](C1=O)([C@@H]([C@@]1([C@H]([C@H]3[C@]42O[C@@]2(O[C@H]3[C@](C[C@H]4C)(O2)C(=C)C)CCCCCCC)O1)CO)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeNeoboutonia melleri Ref.
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OrganismNeoboutonia melleri
ReferenceZhao,Phytochem.,48,(1998),1173