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 CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(O)CC(O)(C(CC23O)C14)C5C6OC(=O)c1ccc(OC)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.circinatum Ref.
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