input word = C00045673

Metabolite InformationStructural formula
Name Atomaric acid
Formula C28H42O4
Mw 442.30830983
CAS RN 55907-34-1
C_ID C00045673 ,
InChIKey OZFVNSYPXRUABC-KGDCFCIKNA-N
InChICode InChI=1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(29)30)13-12-19(4)28(24,6)16-20-15-21(32-7)14-18(3)26(20)31/h14-15,19,23-24,31H,8-13,16H2,1-7H3,(H,29,30)/t19-,23+,24-,27+,28-/m0/s1
SMILES COc1cc(C)c(O)c(C[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCC(=O)O)[C@]3(C)CC[C@@H]2C)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium zonale Ref.
--Taonia atomaria Ref.
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