input word = C00048316

Metabolite InformationStructural formula
Name Alstonic acid A
(-)-Alstonic acid A
Formula C30H48O3
Mw 456.3603454
CAS RN 1159579-44-8
C_ID C00048316 ,
InChIKey WODHWLGTVYKRQF-KYTLKTNENA-N
InChICode InChI=1S/C30H48O3/c1-19(2)20-9-12-24-27(20,5)15-16-29(7)22-10-11-23(26(3,4)18-31)28(6,17-25(32)33)21(22)13-14-30(24,29)8/h18-20,23-24H,9-17H2,1-8H3,(H,32,33)/t20-,23+,24-,27-,28-,29-,30+/m1/s1
SMILES C1[C@]2([C@]([C@H]3[C@](C1)([C@H](CC3)C(C)C)C)(CCC1=C2CC[C@H]([C@@]1(CC(=O)O)C)C(C)(C)C=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
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