input word = C00038614

Metabolite InformationStructural formula
Name Boivinide C
Formula C36H56O12
Mw 680.37717725
CAS RN 960233-19-6
C_ID C00038614 ,
InChIKey BPGWSHOXZQEBEG-PVEWUKRWNA-N
InChICode InChI=1S/C36H56O12/c1-18-32(48-33-31(41)30(40)29(39)26(16-37)47-33)25(43-4)15-28(45-18)46-21-7-10-34(2)20(14-21)5-6-24-23(34)8-11-35(3)22(9-12-36(24,35)42)19-13-27(38)44-17-19/h13,18,20-26,28-33,37,39-42H,5-12,14-17H2,1-4H3/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[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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