input word = C00046383

Metabolite InformationStructural formula
Name Scabrolide A
(-)-Scabrolide A
Formula C19H22O5
Mw 330.14672381
CAS RN 479201-56-4
C_ID C00046383 ,
InChIKey IIISAONBGZMBOM-OPBZXOHUNA-N
InChICode InChI=1S/C19H22O5/c1-8(2)9-4-10(20)6-12-11(5-9)14-15-13(24-18(14)22)7-19(3,23)16(15)17(12)21/h9,13-16,23H,1,4-7H2,2-3H3/t9-,13-,14+,15+,16+,19+/m1/s1
SMILES [C@H]1(CC(=O)CC2=C(C1)[C@H]1[C@H]3[C@@H](C2=O)[C@@](C[C@H]3OC1=O)(C)O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia scabra Ref.
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