input word = C00033522

Metabolite InformationStructural formula
Name 11beta-Acetoxyobacunyl acetate
Formula C30H36O10
Mw 556.23084737
CAS RN 78204-70-3
C_ID C00033522 ,
InChIKey KBHXMBRAEKSSSL-RRUJPRAONA-N
InChICode InChI=1S/C30H36O10/c1-15(31)36-18-13-28(6)23(17-9-11-35-14-17)38-25(34)24-30(28,40-24)29(7)20(37-16(2)32)12-19-26(3,4)39-21(33)8-10-27(19,5)22(18)29/h8-11,14,18-20,22-24H,12-13H2,1-7H3/t18-,19-,20+,22+,23-,24+,27-,28-,29+,30+/m0/s1
SMILES C1=C[C@]2([C@H](C(OC1=O)(C)C)C[C@H]([C@@]1([C@@H]2[C@H](C[C@@]2([C@@]31[C@@H](C(=O)O[C@H]2c1cocc1)O3)C)OC(=O)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cedrala odorata Ref.
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