input word = C00059446

Metabolite InformationStructural formula
Name (2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde
Formula C30H34O5
Mw 474.2406242
CAS RN 1219603-97-0
C_ID C00059446
InChIKey NSFVENNIBGTQJE-RVUBIHFESA-N
InChICode InChI=1S/C30H34O5/c1-17-10-11-23-24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35-30(23,4)13-12-22-19(17)14-29(22,2)3/h5-9,15-16,19,22-24,33-34H,1,10-14H2,2-4H3/t19-,22-,23-,24-,30+/m1/s1
SMILES C=C1CCC2C(c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3OC2(C)CCC2C1CC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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OrganismPsidium guajava
Referencehttps://doi.org/10.1021/acs.jafc.7b01762