input word = C00064324

Metabolite InformationStructural formula
Name Daturadiol
Formula C30H50O2
Mw 442.38108084
CAS RN 41498-79-7
C_ID C00064324
InChIKey JYNBNJRQZZSLPN-NYVWVNPOSA-N
InChICode InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1
SMILES CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia brasiliensis Ref.
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OrganismTerminalia brasiliensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.