input word = C00048317

Metabolite InformationStructural formula
Name Alstonic acid B
Formula C30H46O3
Mw 454.34469533
CAS RN 1159579-45-9
C_ID C00048317 ,
InChIKey WPCBXRKYKJHHMS-JTCGKEIKNA-N
InChICode InChI=1S/C30H46O3/c1-18(2)19-9-10-21-26(19,5)13-14-28(7)22-12-11-20-25(3,4)24(33)30(22,16-15-27(21,28)6)29(20,8)17-23(31)32/h12,18-21H,9-11,13-17H2,1-8H3,(H,31,32)/t19-,20+,21-,26-,27+,28-,29-,30-/m1/s1
SMILES C1[C@]2([C@]([C@H]3[C@](C1)([C@H](CC3)C(C)C)C)(CC[C@]13C2=CC[C@H]([C@]1(CC(=O)O)C)C(C3=O)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia scholaris Ref.
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