input word = C00032168

Metabolite InformationStructural formula
Name Smenospongine
Formula C21H29NO3
Mw 343.2147438
CAS RN 113021-53-7
C_ID C00032168 ,
InChIKey LTNUWWZNTOSEML-BHSCLPHZNA-N
InChICode InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1
SMILES [C@@H]1(CC[C@]2([C@H]([C@@]1(CC1=C(C(=O)C=C(C1=O)N)O)C)CCCC2=C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
--Hippospongia sp. Ref.
--Petrosaspongia metachromia Ref.
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