input word = C00049606

Metabolite InformationStructural formula
Name 3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Formula C30H46O5
Mw 486.33452458
CAS RN 239789-92-5
C_ID C00049606 ,
InChIKey JWSNMKROHRPQSN-CTYUFUCMNA-N
InChICode InChI=1S/C30H46O5/c1-25(2)13-14-29(23(32)33)15-16-30(24(34)35)18(19(29)17-25)7-8-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,30)6/h20-22,31H,7-17H2,1-6H3,(H,32,33)(H,34,35)/t20-,21+,22+,27+,28+,29-,30+/m0/s1
SMILES C1[C@@]2([C@H](C([C@@H](C1)O)(C)C)CC[C@@]1([C@@H]2CCC2=C3[C@@](CC[C@@]12C(=O)O)(CCC(C3)(C)C)C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
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