input word = C00055000

Metabolite InformationStructural formula
Name Carissol
Formula C30H50O
Mw 426.38616622
CAS RN 101915-51-9
C_ID C00055000
InChIKey FSLPMRQHCOLESF-XFMVIGHRSA-N
InChICode InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22-,23+,24-,25-,27+,28-,29+,30+/m0/s1
SMILES C[C@@H]1[C@@H](C)CC[C@]2(C)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@@]21[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCarissa carandas Ref.
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