input word = C00038780

Metabolite InformationStructural formula
Name Circinasine B
Formula C31H43NO10
Mw 589.2886966
CAS RN 939972-76-6
C_ID C00038780 ,
InChIKey YTEHIGWZSLFXJT-UHFFFAOYNA-N
InChICode InChI=1S/C31H43NO10/c1-5-32-14-27(15-39-2)20(33)10-22(41-4)31-18-11-29(37)21(34)13-28(36,19(24(31)32)12-30(27,31)38)23(18)25(29)42-26(35)16-6-8-17(40-3)9-7-16/h6-9,18-25,33-34,36-38H,5,10-15H2,1-4H3/t18-,19-,20+,21-,22-,23-,24+,25+,27-,28+,29+,30-,31+/m0/s1
SMILES [C@@H]12[C@H]3N(C[C@]4([C@]([C@]3([C@H]3C[C@]5([C@H](C[C@@]2([C@@H]3[C@H]5OC(=O)c2ccc(cc2)OC)O)O)O)[C@H](C[C@H]4O)OC)(C1)O)COC)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.circinatum Ref.
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