input word = C00038613

Metabolite InformationStructural formula
Name Boivinide B
Formula C36H54O13
Mw 694.35644181
CAS RN 960233-12-9
C_ID C00038613 ,
InChIKey CSVNMGCNZRUZHN-LHNIQKSDNA-N
InChICode InChI=1S/C36H54O13/c1-18-32(49-33-31(42)30(41)29(40)26(15-37)48-33)25(44-3)14-28(46-18)47-21-6-10-35(17-38)20(13-21)4-5-24-23(35)7-9-34(2)22(8-11-36(24,34)43)19-12-27(39)45-16-19/h12,17-18,20-26,28-33,37,40-43H,4-11,13-16H2,1-3H3/t18-,20+,21+,22-,23+,24-,25-,26-,28+,29-,30+,31-,32+,33+,34-,35-,36+/m1/s1
SMILES CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRoupellina boivinii Ref.
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