input word = C00043540

Metabolite InformationStructural formula
Name Geoditin B
Formula C31H42O5
Mw 494.30322445
CAS RN 386274-86-8
C_ID C00043540 ,
InChIKey CDPPOXOHMOXLAH-QYIZRUGZNA-N
InChICode InChI=1S/C31H42O5/c1-19(23(34)13-12-21(3)32)10-9-11-20(2)28-24(35)18-26-30(7)17-15-27(36-22(4)33)29(5,6)25(30)14-16-31(26,28)8/h9-13,25-27H,14-18H2,1-8H3/b11-9+,13-12+,19-10+,28-20+/t25-,26-,27-,30-,31-/m0/s1
SMILES C1[C@]2([C@H](C([C@H](C1)OC(=O)C)(C)C)CC[C@]1([C@H]2CC(=O)/C/1=C(/C=C/C=C(/C(=O)/C=C/C(=O)C)\C)\C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGeodiidaeGeodia japonica Ref.
--Rhabdastrella aff. distincta Ref.
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