input word = C00030570

Metabolite InformationStructural formula
Name Junceol H
Formula C30H42O11
Mw 578.27271219
CAS RN 1092697-31-8
C_ID C00030570 ,
InChIKey MRRXBXQEIIFHDS-MTSRNFGENA-N
InChICode InChI=1S/C30H42O11/c1-14(2)27(34)40-21-13-16(4)24-26(39-20(8)33)30(36)17(5)28(35)41-23(30)12-15(3)10-11-22(37-18(6)31)29(24,9)25(21)38-19(7)32/h12,14,17,21-26,36H,4,10-11,13H2,1-3,5-9H3/b15-12-/t17-,21-,22-,23-,24+,25-,26-,29+,30+/m0/s1
SMILES C\1=C(\CC[C@@H]([C@@]2([C@@H]([C@@H]([C@@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)C(=C)C[C@@H]([C@@H]2OC(=O)C)OC(=O)C(C)C)C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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