input word = C00049728

Metabolite InformationStructural formula
Name Isogosterone B
(+)-Isogosterone B
Formula C29H42O7
Mw 502.2930537
CAS RN 184173-52-2
C_ID C00049728 ,
InChIKey UPGQWRBTEVLPHO-UWVYYXNJNA-N
InChICode InChI=1S/C29H42O7/c1-17(2)7-10-24(32)18(3)29(34)14-13-28(36-29)22-9-8-20-15-21(31)11-12-26(20,5)23(22)16-25(27(28,6)33)35-19(4)30/h11-12,15,17-18,22-23,25,33-34H,7-10,13-14,16H2,1-6H3/t18-,22-,23+,25+,26-,27+,28-,29+/m1/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@@]([C@H]1OC(=O)C)(C)O)CC[C@](O3)([C@@H](C(=O)CCC(C)C)C)O)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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