input word = C00038615

Metabolite InformationStructural formula
Name Boivinide D
Formula C35H52O13
Mw 680.34079175
CAS RN 960233-26-5
C_ID C00038615 ,
InChIKey DNLXAKKKWMFLON-QMMKOHGYNA-N
InChICode InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32+,33-,34-,35+/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)O)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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