input word = C00062038

Metabolite InformationStructural formula
Name Calonysterone
Formula C27H40O7
Mw 476.27740363
CAS RN 51787-31-6
C_ID C00062038
InChIKey XAKKXZNYERXAIY-HTYOSDJUSA-N
InChICode InChI=1S/C27H40O7/c1-24(2,33)10-9-20(30)27(5,34)19-7-6-14-21-15(8-11-25(14,19)3)26(4)13-18(29)17(28)12-16(26)22(31)23(21)32/h6,17-20,28-31,33-34H,7-13H2,1-5H3/t17-,18+,19+,20-,25+,26-,27-/m1/s1
SMILES CC(C)(O)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1=C(O)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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