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 C=C(C)[C@]12C[C@@H](C)C34O[C@@](CCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@H]41)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeNeoboutonia melleri Ref.
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