input word = C00038617

Metabolite InformationStructural formula
Name Boivinide F
Formula C38H56O15
Mw 752.36192112
CAS RN 960233-36-7
C_ID C00038617 ,
InChIKey PFTYEQWDSBMMNY-RFNQMGJHNA-N
InChICode InChI=1S/C38H56O15/c1-18-31(53-34-30(45)29(44)28(43)26(15-39)52-34)32(47-4)33(50-19(2)41)35(49-18)51-22-7-11-37(17-40)21(14-22)5-6-25-24(37)8-10-36(3)23(9-12-38(25,36)46)20-13-27(42)48-16-20/h13,17-18,21-26,28-35,39,43-46H,5-12,14-16H2,1-4H3/t18-,21+,22+,23-,24+,25-,26-,28-,29+,30-,31+,32+,33-,34+,35+,36-,37-,38+/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]([C@H]1OC(=O)C)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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