input word = C00045417

Metabolite InformationStructural formula
Name Theopederin L
Formula C31H47NO11
Mw 609.31491135
CAS RN 370086-37-6
C_ID C00045417 ,
InChIKey LMFMOBJDPHWCJT-APYCCVIONA-N
InChICode InChI=1S/C31H47NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h8,10-14,19-22,24-27,29,33,36H,1,9,15-17H2,2-7H3,(H,32,37)(H,34,35)/b10-8+,13-11+,14-12+/t19-,20-,21-,22-,24+,25-,26-,27-,29+,31-/m1/s1
SMILES [C@H]1(C(=C)C[C@@](O[C@@H]1C)([C@@H](C(=O)N[C@H]1OCO[C@H]2[C@H]1O[C@@H](C([C@@H]2OC)(C)C)C[C@@H](/C=C/C/C=C/C=C/C(=O)O)O)O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Discodermia sp. Ref.
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