input word = C00021221

Metabolite InformationStructural formula
Name Platanic acid
Formula C29H46O4
Mw 458.33960996
CAS RN 6060-06-6
C_ID C00021221 ,
InChIKey RVMPLOSJMIQORE-JQBBYFETNA-N
InChICode InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20+,21+,22-,23-,26-,27+,28+,29-/m0/s1
SMILES CC(=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca ericifolia Ref.
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
PlantaePlatanaceaePlatanus occidentalis Ref.
--Syzigium claviflorum Ref.
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