input word = C00021224

Metabolite InformationStructural formula
Name Betulinaldehyde
Betunal
(+)-Betunal
Formula C30H48O2
Mw 440.36543078
CAS RN 13159-28-9
C_ID C00021224 ,
InChIKey FELCJAPFJOPHSD-YYHFAXQKNA-N
InChICode InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@](CC2)(CC[C@H]1C(=C)C)C=O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeEbenaceaeDiospyros canaliculata Ref.
PlantaeEbenaceaeDiospyros discolor Ref.
PlantaeEbenaceaeDiospyros eriantha Ref.
PlantaeMelianthaceaeBersama swinyi Ref.
PlantaeMyrtaceaeMelaleuca ericifolia Ref.
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
PlantaeOleaceaeJasminum lanceolarium Ref.
PlantaeSarraceniaceaeSarracenia flava Ref.
--Zizphus cambodiana Ref.
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