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 C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRoupellina boivinii Ref.
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