input word = C00045225

Metabolite InformationStructural formula
Name Aureol acetate
Formula C23H32O3
Mw 356.23514489
CAS RN 72853-82-8
C_ID C00045225 ,
InChIKey MQRRSNNZKRHXGT-JLRLRACNNA-N
InChICode InChI=1S/C23H32O3/c1-15-7-10-20-21(3,4)11-6-12-23(20)22(15,5)14-17-13-18(25-16(2)24)8-9-19(17)26-23/h8-9,13,15,20H,6-7,10-12,14H2,1-5H3/t15-,20-,22+,23-/m0/s1
SMILES c1c(cc2c(c1)O[C@]13[C@](C2)([C@H](CC[C@H]1C(C)(C)CCC3)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Smenospongia aurea Ref.
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