input word = C00049992

Metabolite InformationStructural formula
Name Angustanoic acid I
(+)-Angustanoic acid I
Formula C20H28O5
Mw 348.193674
CAS RN 211814-32-3
C_ID C00049992 ,
InChIKey JYOMOFXSZVAADM-QXAKWGPSNA-N
InChICode InChI=1S/C20H28O5/c1-12(2)13-6-9-20(25-24)14(15(21)10-13)11-16-18(3,17(22)23)7-5-8-19(16,20)4/h10,14,16,24H,1,5-9,11H2,2-4H3,(H,22,23)/t14-,16-,18-,19-,20+/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@H](C1)[C@](CCC3)(C(=O)O)C)C)(CCC(=CC2=O)C(=C)C)OO
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