input word = C00049681

Metabolite InformationStructural formula
Name Stypoquinonic acid
(+)-Stypoquinonic acid
Formula C27H38O4
Mw 426.2770097
CAS RN 232585-15-8
C_ID C00049681 ,
InChIKey UKTQYWBDQDXWDJ-JMLWBNAGNA-N
InChICode InChI=1S/C27H38O4/c1-16(2)21-7-9-23-26(5,22(21)8-10-24(29)30)12-11-18(4)27(23,6)15-19-14-20(28)13-17(3)25(19)31/h13-14,18,22-23H,7-12,15H2,1-6H3,(H,29,30)/t18-,22+,23-,26+,27-/m0/s1
SMILES [C@@H]1(CC[C@]2([C@@H]([C@]1(CC1=CC(=O)C=C(C1=O)C)C)CCC(=C(C)C)[C@H]2CCC(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium zonale Ref.
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