input word = C00029562

Metabolite InformationStructural formula
Name 5-epi-Ilimaquinone
Formula C22H30O4
Mw 358.21440945
CAS RN 96806-31-4
C_ID C00029562 ,
InChIKey JJWITJNSXCXULM-NQHPVBNENA-N
InChICode InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21-,22+/m0/s1
SMILES [C@@H]1(CC[C@@]2([C@H]([C@@]1(CC1=C(C(=O)C=C(C1=O)OC)O)C)CCCC2=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hippospongia sp. Ref.
--Petrosaspongia metachromia Ref.
--Polyfibrospongia australis Ref.
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