input word = C00030134

Metabolite InformationStructural formula
Name Dihydroisocangorosin A
Formula C60H84O8
Mw 932.61661966
CAS RN 132059-98-4
C_ID C00030134 ,
InChIKey XKRWMOJYANCSET-WPSDIWOJNA-N
InChICode InChI=1S/C60H84O8/c1-33-35-15-16-40-55(7,23-27-58(10)41-31-53(5,49(63)65-13)19-17-51(41,3)21-25-57(40,58)9)36(35)30-39-45(33)68-47-46(67-39)43-34(2)44(62)38(61)29-37(43)56(8)24-28-59(11)42-32-54(6,50(64)66-14)20-18-52(42,4)22-26-60(59,12)48(47)56/h29-30,40-42,46-48,61-62H,15-28,31-32H2,1-14H3/t40-,41+,42+,46+,47+,48-,51+,52+,53+,54+,55-,56-,57+,58-,59-,60+/m0/s1
SMILES c12c([C@@H]3[C@H]([C@H]4[C@]1(CC[C@@]1([C@@]4(CC[C@@]4([C@H]1C[C@@](CC4)(C(=O)OC)C)C)C)C)C)Oc1c(O3)cc3c(c1C)CC[C@H]1[C@]3(CC[C@@]3([C@@]1(CC[C@@]1([C@H]3C[C@@](CC1)(C(=O)OC)C)C)C)C)C)c(c(c(c2)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus illicifolia Mart ex Reiss. Ref.
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