input word = C00050914

Metabolite InformationStructural formula
Name Isodomoic acid D
Formula C15H21NO6
Mw 311.13688741
CAS RN 101977-26-8
C_ID C00050914
InChIKey VZFRNCSOCOPNDB-GCEAICGNNA-N
InChICode InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4-/t9-,10+,11-,13+/m1/s1
SMILES C/C(=C/C=C[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Chondria armata Ref.
--Mytilus edulis Ref.
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