input word = C00049727

Metabolite InformationStructural formula
Name Isogosterone A
(+)-Isogosterone A
Formula C29H42O5
Mw 470.30322445
CAS RN 194856-36-5
C_ID C00049727 ,
InChIKey ZZVFELKCOKHBRK-RYAXAIGYNA-N
InChICode InChI=1S/C29H42O5/c1-18(2)8-7-9-19(3)29-15-14-28(34-29)23-11-10-21-16-22(31)12-13-26(21,5)24(23)17-25(32-20(4)30)27(28,6)33-29/h12-13,16,18-19,23-25H,7-11,14-15,17H2,1-6H3/t19-,23-,24+,25+,26-,27+,28?,29+/m1/s1
SMILES C1[C@H]2[C@H]([C@@]34[C@]([C@H]1OC(=O)C)(O[C@@](CC3)(O4)[C@H](C)CCCC(C)C)C)CCC1=CC(=O)C=C[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dendronephythya sp. Ref.
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