input word = C00029883

Metabolite InformationStructural formula
Name Camaldulenic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 71850-15-2
C_ID C00029883 ,
InChIKey YOLIZCATBHWOBV-COGYDDBPNA-N
InChICode InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8-9,20-23,31-32H,10-17H2,1-7H3,(H,33,34)/t20-,21+,22-,23+,27+,28-,29-,30+/m1/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]2CC[C@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus camaldulensis Ref.
PlantaeUlmaceaeUlmus pumila L. Ref.
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