input word = C00062286

Metabolite InformationStructural formula
Name Roseadine
Formula C46H56N4O9
Mw 808.40472942
CAS RN 58005-25-7
C_ID C00062286
InChIKey JPJKITSCFHYWLR-YQYKVWLJSA-N
InChICode InChI=1S/C46H56N4O9/c1-8-43-16-12-18-50-20-17-45(39(43)50)32-22-30(35(56-5)23-34(32)48(4)40(45)46(55,42(53)58-7)41(43)59-26(3)51)31(38(52)57-6)21-27-24-49-19-15-29-28-13-10-11-14-33(28)47-37(29)36(27)44(54,9-2)25-49/h10-14,16,21-23,27,36,39-41,47,54-55H,8-9,15,17-20,24-25H2,1-7H3/b31-21-
SMILES CCC1(O)CN2CCc3c([nH]c4ccccc34)C1C(C=C(C(=O)OC)c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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