input word = C00045829

Metabolite InformationStructural formula
Name Deacetylhirtin
Formula C30H34O10
Mw 554.21519731
CAS RN 13291-81-1
C_ID C00045829 ,
InChIKey HKIUILMOGBEIDX-ZEWLITRUNA-N
InChICode InChI=1S/C30H34O10/c1-7-18(32)39-24-20(34)22-26(2)10-8-16(31)27(3,25(36)37-6)21(26)19(33)23(35)29(22,5)30-17(40-30)12-15(28(24,30)4)14-9-11-38-13-14/h8-11,13,15,17,20,22,24,33-34H,7,12H2,1-6H3/t15-,17+,20+,22+,24-,26-,27-,28+,29-,30+/m0/s1
SMILES C1=C[C@]2(C(=C(C(=O)[C@@]3([C@@H]2[C@H]([C@@H]([C@@]2([C@@]43[C@@H](C[C@H]2c2cocc2)O4)C)OC(=O)CC)O)C)O)[C@@](C1=O)(C)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia hirta Ref.
PlantaeMeliaceaeTrichilia pallida Ref.
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OrganismTrichilia hirta
ReferenceChan,J.Chem.Soc.,Chem.Commun,(1966),206