input word = C00055959

Metabolite InformationStructural formula
Name Jubanine H
Formula C30H45N5O6
Mw 571.33698421
CAS RN 1809869-75-7
C_ID C00055959
InChIKey QMTFGZUSTCRUEB-FAQLDEPFSA-N
InChICode InChI=1S/C30H45N5O6/c1-8-17(3)24-28(37)32-14-12-20-16-21(10-11-22(20)40-7)41-23-13-15-35(26(23)29(38)33-24)30(39)25(18(4)9-2)34-27(36)19(5)31-6/h10-12,14,16-19,23-26,31H,8-9,13,15H2,1-7H3,(H,32,37)(H,33,38)(H,34,36)/b14-12-/t17-,18-,19+,23-,24-,25-,26-/m0/s1
SMILES O=C1N/C=CC2=CC(O[C@@]3([H])CCN(C([C@@H](NC([C@H](NC)C)=O)[C@@H](C)CC)=O)[C@]3([H])C(N[C@@]1([H])[C@@H](C)CC)=O)=CC=C2OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
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