input word = C00047928

Metabolite InformationStructural formula
Name Isoepitaondiol
Formula C27H40O3
Mw 412.29774514
CAS RN 144539-76-4
C_ID C00047928 ,
InChIKey LRMHPGVONLYGQD-UZVIDIPFNA-N
InChICode InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27+/m0/s1
SMILES Cc1cc(O)cc2c1O[C@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@H]1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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