input word = C00056302

Metabolite InformationStructural formula
Name Eucalyptal B
Formula C28H38O7
Mw 486.26175357
CAS RN 1000994-07-9
C_ID C00056302
InChIKey VWNYEWUFLXJJJS-GDTDCKGHSA-N
InChICode InChI=1S/C28H38O7/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)35-25-21-18(26(4,5)33)8-7-15(3)28(21,34)10-9-27(19,25)6/h12-14,18-19,21,25,31-34H,3,7-11H2,1-2,4-6H3/t18-,19-,21+,25+,27-,28-/m1/s1
SMILES C=C1[C@]2(O)CC[C@]3(C)[C@H](CC(C)C)C4=C(O)C(C=O)=C(O)C(C=O)=C4O[C@@]3([H])[C@]2([H])[C@H](C(C)(O)C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus globulus Ref.
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