input word = C00049991

Metabolite InformationStructural formula
Name Angustanoic acid H
Formula C20H28O4
Mw 332.19875938
CAS RN 211814-31-2
C_ID C00049991 ,
InChIKey DTLNNBJPRNNBTE-VGXYCEMLNA-N
InChICode InChI=1S/C20H28O4/c1-13(12-21)14-7-10-20(24)15(11-14)5-6-16-18(2,17(22)23)8-4-9-19(16,20)3/h11-12,16,24H,4-10H2,1-3H3,(H,22,23)/b14-13+/t16-,18-,19-,20+/m0/s1
SMILES C1[C@]2(C(=C/C(=C(\C)/C=O)/C1)CC[C@@H]1[C@@]2(CCC[C@@]1(C(=O)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium angustisepalum Ref.
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OrganismIllicium angustisepalum
ReferenceSy,J.Nat.Prod.,61,(1998),907