input word = C00016216

Metabolite InformationStructural formula
Name epi-Cochlioquinone A
Formula C30H44O8
Mw 532.30361838
CAS RN 147384-57-4
C_ID C00016216 ,
InChIKey UWSYUCZPPVXEKW-JISXDRIRNA-N
InChICode InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30-/m0/s1
SMILES C1(=CC(=O)C2=C(C1=O)O[C@@]1([C@H]([C@@H]2O)[C@@]2([C@@H](CC1)O[C@H](CC2)C(O)(C)C)C)C)[C@@H]([C@@H]([C@H](CC)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stachybotrys bisbyi SANK 17777 Ref.
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